SCHEMBL9304311

SCHEMBL9304311

O=C(Nc1cccc(Cl)c1)c1ccc(Cc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.65
NTRK2 Q16620 3/20 0.65
PKM P14618 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
MAPT P10636 4/20 0.56
KDM4E B2RXH2 1/20 0.56
POLB P06746 1/20 0.56
THRB P10828 1/20 0.56
RECQL P46063 1/20 0.56
ATM Q13315 1/20 0.56
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.53
TP53 P04637 1/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
COMT P21964 1/20 0.53

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
SCHEMBL9303087 0.85 NTRK1 (0.67) NTRK1PKMSMN1; SMN2MEN1KMT2A
SCHEMBL9304184 0.85 GRIN1 (0.63) NTRK1PKMSMN1; SMN2MEN1KMT2A
SCHEMBL6262306 0.83 PKM (0.73) NTRK1NTRK2PKMSMN1; SMN2NPC1
SCHEMBL9304180 0.82 NPC1 (0.55) NTRK1PKMSMN1; SMN2MEN1KMT2A
SCHEMBL6280418 0.80 HPSE (0.78) PKMSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL7274899 0.79 ALDH1A1 (0.68) PKMSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL20103636 0.79 NTRK1 (1.00) NTRK1NTRK2NPC1RAB9A
SCHEMBL6243599 0.78 SMN1; SMN2 (0.60) NTRK1NTRK2PKMSMN1; SMN2NPC1
SCHEMBL19583412 0.76 GAA (0.69) PKMSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL28357335 0.76 KMT2A (0.69) PKMSMN1; SMN2MEN1KMT2ANPC1

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
US-5314880-A Platelet activating factor antagonist BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-05-24 US disclosed
EP-0468971-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-02-05 EP disclosed
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO disclosed