SCHEMBL9693902

SCHEMBL9693902

COc1nccc2nc(-c3ccc(Cl)cc3)[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
NPC1 O15118 3/20 0.48
ALDH1A1 P00352 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 2/20 0.48
PKM P14618 2/20 0.48
MAPK13 O15264 4/20 0.41
MAPK12 P53778 4/20 0.41
MAPK11 Q15759 4/20 0.41
MAPK14 Q16539 4/20 0.41
GCGR P47871 4/20 0.41
TNKS O95271 2/20 0.40
TNKS2 Q9H2K2 2/20 0.40
PARP2 Q9UGN5 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GUSB P08236 2/20 0.40
GAA P10253 2/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL9693499 0.80 ALDH1A1 (0.58) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL12778715 0.72 BTK (0.33) TP53MAPT
SCHEMBL25835371 0.72 NUDT1 (0.37) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL30622648 0.72 NUDT1 (0.37) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL13405984 0.70 GAA (0.59) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL10562937 0.69 TNKS (0.59) TNKSTNKS2PARP2GAAMAPK1
SCHEMBL4470282 0.69 HDAC6 (0.51) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL28563694 0.68 KDM4E (0.47) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL9693519 0.68 ALDH1A1 (0.46) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL3337335 0.67 NPC1 (0.60) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0255217-B1 FUSED IMIDAZOHETEROCYCLIC COMPOUNDS A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1992-01-22 EP disclosed
US-4948800-A MUSCLE RELAXANTS; ANTICONVULSANTS; ANXIOLYTIC AGENTS; 3-HYDROXYALKYL-PYRIDO(4,5-B OR-C)IMIDAZOLE COMPOUNDS A. H. ROBINS COMPANY, INCORPORATED (US) 1990-08-14 US disclosed
US-4914109-A ANTICONVULSANTS, ANTIANXIETY AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1990-04-03 US disclosed
US-4873251-A MUSCLE RELAXANTS, ANTICONVULSANTS, ANTIANXIETY AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1989-10-10 US disclosed
US-4824951-A MUSCLE RELAXANTS, ANTICONVULSANTS, ANXIOLYTIC AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1989-04-25 US disclosed
US-4772600-A MUSCLE RELAXANTS, ANTICONVULSANTS, ANXIOLYTIC A. H. ROBINS COMPANY, INC. (US) 1988-09-20 US disclosed
EP-0255217-A1 Fused imidazoheterocyclic compounds A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1988-02-03 EP disclosed