SCHEMBL5776970

SCHEMBL5776970

CCOC(=O)NCc1ccncc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.58
GAA P10253 3/20 0.58
KMT2A Q03164 1/20 0.58
MAPT P10636 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
ALDH1A1 P00352 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
TSHR P16473 1/20 0.56
LMNA P02545 3/20 0.56
PPID Q08752 1/20 0.56
EPHX1 P07099 1/20 0.55
MAPK1 P28482 2/20 0.53
HTT P42858 2/20 0.51
RAB9A P51151 1/20 0.51
MMP2 P08253 1/20 0.51
CYP3A4 P08684 1/20 0.51
STAT3 P40763 1/20 0.51
MMP13 P45452 1/20 0.51
MAPK14 Q16539 1/20 0.51

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
SCHEMBL10599026 0.87 TSHR (0.70) GAAKMT2AMAPTSMN1; SMN2TSHR
SCHEMBL12484350 0.84 POLB (0.56) GAAMAPTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL360571 0.83 ALDH1A1 (0.61) NAMPTGAAKMT2AMAPTL3MBTL1
SCHEMBL11171119 0.83 KMT2A (0.66) NAMPTGAAKMT2AMAPTL3MBTL1
SCHEMBL9136581 0.82 LMNA (0.69) GAAKMT2ASMN1; SMN2TSHRLMNA
Benzene SCHEMBL8878788 0.82 PPID (0.64) NAMPTGAAKMT2AMAPTALDH1A1
SCHEMBL5705124 0.82 SMN1; SMN2 (0.64) GAAKMT2AMAPTSMN1; SMN2TSHR
SCHEMBL423344 0.82 PPID (0.64) NAMPTGAAKMT2AMAPTALDH1A1
SCHEMBL25095027 0.82 PPID (0.59) NAMPTGAAKMT2AMAPTL3MBTL1
SCHEMBL9415957 0.81 EPHX1 (0.51) GAAMAPTALDH1A1SMN1; SMN2TSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732103-B2 Carbamate, ester, and ketone compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
WO-2015130830-A1 CARBAMATE, ESTER, AND KETONE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2015-09-03 WO disclosed
EP-0931078-B1 NOVEL TRICYCLIC PIPERIDINYL COMPOUNDS USEFUL AS INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORP (US) 2006-11-15 EP disclosed
US-5965570-A PHARMACEUTICAL COMPOSITIONS FOR INHIBITING THE ABNORMAL GROWTH OF CELLS; ADMINISTERING TO INHIBIT TUMOR CELLS WHEREIN THE RAS PROTEIN IS ACTIVATED AS A RESULT OF ONCOGENIC MUTATION IN GENES OTHER THAN THE RAS GENE SCHERING CORPORATION (US) 1999-10-12 US disclosed
EP-0931078-A1 NOVEL TRICYCLIC PIPERIDINYL COMPOUNDS USEFUL AS INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORPORATION (US) 1999-07-28 EP disclosed
WO-1998011098-A1 NOVEL TRICYCLIC PIPERIDINYL COMPOUNDS USEFUL AS INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORPORATION (US) 1998-03-19 WO disclosed