SCHEMBL9033928

SCHEMBL9033928

Clc1ccc(COCc2cccc(Cc3c[nH]cn3)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGER1 P34995 2/20 0.36
HSP90AB1 P08238 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
MRGPRX4 Q96LA9 4/20 0.35
MAOB P27338 3/20 0.34
NR4A2 P43354 1/20 0.34
CDC7 O00311 1/20 0.34
DBF4 Q9UBU7 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
DHODH Q02127 1/20 0.34
TKT P29401 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
SCHEMBL9024323 0.90 MAOB (0.43) MAOBCDC7DBF4
SCHEMBL9078573 0.89 HSP90AB1 (0.41) SMN1; SMN2NPC1RAB9AL3MBTL1HSP90AB1
SCHEMBL9080811 0.82 ALDH1A1 (0.42) L3MBTL1PTGER1MEN1MAPK1KMT2A
SCHEMBL9029161 0.82 TSHR (0.48) SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL9027127 0.81 MAPT (0.41) SMN1; SMN2RAB9AL3MBTL1MEN1KMT2A
SCHEMBL9024889 0.80 HCAR2 (0.40) HSP90AB1MAOBGABRA1GABRB2
SCHEMBL2105133 0.80 PNMT (0.43) CDC7DBF4GABRA1GABRB2
SCHEMBL9023637 0.80 ALDH1A1 (0.46) SMN1; SMN2NPC1RAB9AL3MBTL1PTGER1
SCHEMBL11047959 0.80 HSP90AB1 (0.47) HSP90AB1MAPK1GABRA1GABRB2
SCHEMBL2104493 0.80 PTPN5 (0.41) HSP90AB1MAOBNR4A2GABRA1GABRB2

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-5578616-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, TREATMENT FOR GASTROINTESTINAL AND CARDIOVASCULAR DISORDERS SCHERING CORPORATION (US) 1996-11-26 US disclosed
EP-0729459-A1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 1996-09-04 EP disclosed
WO-1995014007-A1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 1995-05-26 WO disclosed