SCHEMBL9540304

SCHEMBL9540304

CCCCCNC1=C(C)N=Cc2ccccc2N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ELANE P08246 3/20 0.37
KCNH3 Q9ULD8 1/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
STAT1 P42224 1/20 0.36
RAB9A P51151 1/20 0.36
UTS2R Q9UKP6 3/20 0.36
BCHE P06276 1/20 0.33
TRPC3 Q13507 1/20 0.33
TRPC4 Q9UBN4 1/20 0.33
TRPC5 Q9UL62 1/20 0.33
TSHR P16473 1/20 0.33
SLC2A1 P11166 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NLRP3 Q96P20 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
SCHEMBL16306324 0.69 GAA (0.41) MAPT
SCHEMBL11032087 0.69 HRH4 (0.38) LMNASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL9540291 0.67 HRH4 (0.38) LMNASMN1; SMN2ALDH1A1KDM4ENLRP3
SCHEMBL4788944 0.64 KCNH3 (0.38) S1PR2LMNASMN1; SMN2NPSR1ELANE
SCHEMBL8897910 0.63 KCNH3 (0.37) S1PR2LMNASMN1; SMN2NPSR1ELANE
SCHEMBL12595626 0.61 GAA (0.36) MAPT
SCHEMBL1724131 0.61 L3MBTL1 (0.51) S1PR2LMNASMN1; SMN2NPSR1KCNH3
SCHEMBL96273 0.60 ALDH1A1 (0.70) S1PR2LMNASMN1; SMN2NPSR1KCNH3
SCHEMBL8535750 0.60 L3MBTL1 (0.54) S1PR2LMNASMN1; SMN2NPSR1KCNH3
SCHEMBL30174089 0.60 L3MBTL1 (0.54) S1PR2LMNASMN1; SMN2NPSR1KCNH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993002707-A1 NEW ANTI-DIARRHEIC AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1993-02-18 WO claimed
WO-1993002707-A1 NEW ANTI-DIARRHEIC AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1993-02-18 WO disclosed
EP-0066303-A1 2-Azidomethyl-1,4-benzodiazepines, their salts, process for preparing them and pharmaceutical compositions containing them Kali-Chemie Pharma GmbH (DE) 1982-12-08 EP disclosed