SCHEMBL4558714

SCHEMBL4558714

C=CC(C#N)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNA5 P22460 5/20 0.41
KCNE1 P15382 2/20 0.41
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
KCNH2 Q12809 1/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
ATM Q13315 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.33
CYP2D6 P10635 1/20 0.33
POLB P06746 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28476071 0.81 MEN1 (0.45) SMN1; SMN2MEN1KMT2AGAASLC6A2
SCHEMBL7477684 0.75 TRPA1 (0.48) SMN1; SMN2MEN1KMT2AGAASLC6A2
SCHEMBL11800360 0.74 SLC6A2 (0.48) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL2937192 0.74 SLC6A2 (0.48) SMN1; SMN2MEN1KMT2AGAASLC6A2
SCHEMBL6160196 0.74 SLC6A2 (0.48) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL5429300 0.74 SLC6A2 (0.48) SMN1; SMN2MEN1KMT2AGAASLC6A2
SCHEMBL11821663 0.71 RECQL (0.38) SMN1; SMN2MEN1KMT2ATSHRNPSR1
SCHEMBL3804440 0.71 TRPA1 (0.33) TSHRALDH1A1
SCHEMBL1385556 0.71 SLC6A3 (0.45) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL253431 0.71 SLC6A2 (0.45) MEN1KMT2AGAASLC6A2SLC6A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125023-A2 SOLUBLE FORMS OF INCLUSION COMPLEXES OF HISTONE DEACETYLASE INHIBITORS AND CYCLODEXTRINS, THEIR PREPARATION PROCESSES AND USES IN THE PHARMACEUTICAL FIELD Universita'Degli Studi di Roma "La Sapienza" (IT) 2009-12-02 EP claimed
WO-2008090585-A2 SOLUBLE FORMS OF INCLUSION COMPLEXES OF HISTONE DEACETYLASE INHIBITORS AND CYCLODEXTRINS, THEIR PREPARATION PROCESSES AND USES IN THE PHARMACEUTICAL FIELD UNIVERSITÀ DEGLI STUDI DI ROMA LA SAPIENZA (IT) 2008-07-31 WO claimed
EP-1144542-B1 POLYMER CEMENT ADDITIVE, CEMENT COMPOSITION AND PROCESS THEREWITH CONOCOPHILLIPS CO (US) 2006-07-19 EP claimed
EP-1144542-A4 CEMENT COMPOSITION AND PROCESS THEREWITH CONOCOPHILLIPS CO (US) 2004-06-09 EP claimed
EP-1144542-A1 CEMENT COMPOSITION AND PROCESS THEREWITH Phillips Petroleum Company (US) 2001-10-17 EP claimed
US-6124383-A CEMENT AND POLYMER ADJUVANT WHICH REDUCES WATER LOSS FROM CEMENT SLURRIES COMPRISING A TETRAPOLYMER OF AN UNSATURATED AMIDE, HYDROXY ACRYLATE, AND TWO MORE SPECIFIED MONOMERS SUCH AS VINYL MORPHOLINE AND A SECOND DIFFERENT UNSATURATED AMIDE PHILLIPS PETROLEUM COMPANY (US) 2000-09-26 US claimed
WO-2000039244-A1 CEMENT COMPOSITION AND PROCESS THEREWITH PHILLIPS PETROLEUM COMPANY (US) 2000-07-06 WO claimed
EP-1144542-B1 POLYMER CEMENT ADDITIVE, CEMENT COMPOSITION AND PROCESS THEREWITH CONOCOPHILLIPS CO (US) 2006-07-19 EP disclosed
EP-1144542-A4 CEMENT COMPOSITION AND PROCESS THEREWITH CONOCOPHILLIPS CO (US) 2004-06-09 EP disclosed
EP-1144542-A1 CEMENT COMPOSITION AND PROCESS THEREWITH Phillips Petroleum Company (US) 2001-10-17 EP disclosed
US-6124383-A CEMENT AND POLYMER ADJUVANT WHICH REDUCES WATER LOSS FROM CEMENT SLURRIES COMPRISING A TETRAPOLYMER OF AN UNSATURATED AMIDE, HYDROXY ACRYLATE, AND TWO MORE SPECIFIED MONOMERS SUCH AS VINYL MORPHOLINE AND A SECOND DIFFERENT UNSATURATED AMIDE PHILLIPS PETROLEUM COMPANY (US) 2000-09-26 US disclosed
WO-2000039244-A1 CEMENT COMPOSITION AND PROCESS THEREWITH PHILLIPS PETROLEUM COMPANY (US) 2000-07-06 WO disclosed
US-5760035-A PIPERIDINE COMPOUNDS SUBSTITUTED WITH AN AMINOALKYL GROUP AND AN ARYLOXYALKYL GROUP, ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, IMMUNOSUPPRESSANTS KNOLL AKTIENGESELLSCHAFT (DE) 1998-06-02 US disclosed
EP-0720602-B1 4-ALKYLAMINO-1-PHENOXYALKYL PIPERIDINES AS ANTIINFLAMMATORY, ANTIALLERGIC AND IMMUNOMODULATING AGENTS KNOLL AG (DE) 1997-07-09 EP disclosed
EP-0720602-A1 4-ALKYLAMINO-1-PHENOXYALKYL PIPERIDINES AS ANTIINFLAMMATORY, ANTIALLERGIC AND IMMUNOMODULATING AGENTS KNOLL AG (DE) 1996-07-10 EP disclosed
WO-1995008535-A1 4-ALKYLAMINO-1-PHENOXYALKYL PIPERIDINES AS ANTIINFLAMMATORY, ANTIALLERGIC AND IMMUNOMODULATING AGENTS KNOLL AG (DE) 1995-03-30 WO disclosed