SCHEMBL7872384

SCHEMBL7872384

Cc1ccnc(Nc2ccc(Cl)c(CN)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 4/20 0.43
POLB P06746 1/20 0.43
IDO1 P14902 1/20 0.42
SORT1 Q99523 1/20 0.41
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
TP53 P04637 3/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GBA1 P04062 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.39
NOS2 P35228 1/20 0.38

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
SCHEMBL7880720 0.84 DHFR (0.44) KARS1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7872421 0.80 LMNA (0.47) KARS1POLBKMT2ASMN1; SMN2NPC1
SCHEMBL7880192 0.75 KARS1 (0.48) KARS1POLBKMT2ANPC1MEN1
SCHEMBL7880185 0.74 KARS1 (0.63) KARS1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL21281905 0.73 MAPK10 (0.50) KMT2ASMN1; SMN2NPC1RAB9ATP53
SCHEMBL7872531 0.72 KARS1 (0.55) KARS1POLBKMT2ASMN1; SMN2NPC1
SCHEMBL3951446 0.72 HTR3E (0.57) POLBKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6111929 0.71 PNMT (0.48) POLBKMT2ASMN1; SMN2TP53ALDH1A1
SCHEMBL2912518 0.71 KDR (0.57) KARS1POLBKMT2ASMN1; SMN2NPC1
SCHEMBL18772775 0.71 TNNI3K (0.59) KARS1KMT2ASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1244542-C Aromatic amine derivatives having NOS inhibitory effect CHUGAI PHARMACEUTICAL CO LTD (JP) 2006-03-08 CN claimed
US-6331553-B1 INHIBITORS OF NITRIC OXIDE SYNTHASE; TREATING CEREBROVASCULAR DISEASES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-12-18 US claimed
CN-1240419-A Aromatic amine derivatives having NOS inhibitory effect CHUGAI PHARMACEUTICAL CO LTD (JP) 2000-01-05 CN claimed
EP-0949242-A1 AROMATIC AMINE DERIVATIVES HAVING NOS INHIBITORY EFFECT Chugai Seiyaku Kabushiki Kaisha (JP) 1999-10-13 EP claimed
CN-1244542-C Aromatic amine derivatives having NOS inhibitory effect CHUGAI PHARMACEUTICAL CO LTD (JP) 2006-03-08 CN disclosed
US-6331553-B1 INHIBITORS OF NITRIC OXIDE SYNTHASE; TREATING CEREBROVASCULAR DISEASES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-12-18 US disclosed
CN-1240419-A Aromatic amine derivatives having NOS inhibitory effect CHUGAI PHARMACEUTICAL CO LTD (JP) 2000-01-05 CN disclosed
EP-0949242-A1 AROMATIC AMINE DERIVATIVES HAVING NOS INHIBITORY EFFECT Chugai Seiyaku Kabushiki Kaisha (JP) 1999-10-13 EP disclosed