SCHEMBL9029161

SCHEMBL9029161

c1ccc(COCc2ccc(Cc3c[nH]cn3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
LTA4H P09960 2/20 0.41
ALDH1A1 P00352 1/20 0.38
HRH3 Q9Y5N1 3/20 0.36
HRH4 Q9H3N8 2/20 0.36
HPGD P15428 1/20 0.35
MAPK14 Q16539 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CALM1 P0DP23 1/20 0.34
TAAR1 Q96RJ0 2/20 0.34
HTR2B P41595 1/20 0.34
CD74 P04233 1/20 0.34
MIF P14174 1/20 0.34

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
SCHEMBL649075 0.88 ALDH1A1 (0.46) TSHRLTA4HALDH1A1HRH3HRH4
SCHEMBL9078573 0.86 HSP90AB1 (0.41) L3MBTL1NPC1RAB9ASMN1; SMN2HTR2B
SCHEMBL9024323 0.84 MAOB (0.43) LTA4HHPGDKDM4E
SCHEMBL9033928 0.82 SMN1; SMN2 (0.38) L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL9028085 0.81 KMT2A (0.55) TSHRALDH1A1HPGDL3MBTL1NPC1
SCHEMBL9023589 0.81 L3MBTL1 (0.59) TSHRALDH1A1L3MBTL1
SCHEMBL2104702 0.79 DPYD (0.51) ALDH1A1L3MBTL1RAB9AKDM4E
SCHEMBL6967970 0.79 ALDH1A1 (0.39) ALDH1A1HRH3HRH4L3MBTL1RAB9A
SCHEMBL6967651 0.79 KMT2A (0.56) TSHRALDH1A1HPGDL3MBTL1NPC1
Proxyfan SCHEMBL4072620 0.78 HRH3 (0.54) TSHRLTA4HALDH1A1HRH3HRH4

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