SCHEMBL6089615

SCHEMBL6089615

COCCOCOc1cccc(COCc2ccccn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.46
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GPR132 Q9UNW8 1/20 0.40
HTR5A P47898 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SYK P43405 3/20 0.38
SMARCA2 P51531 1/20 0.38
TLR4 O00206 1/20 0.37
TLR2 O60603 1/20 0.37
MAOB P27338 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
F2RL3 Q96RI0 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL6088431 0.81 CYSLTR1 (0.56)
SCHEMBL16710552 0.79 ABCB1 (0.57) ABCB1HTR1ADRD2ALDH1A1MEN1
SCHEMBL18232031 0.78 SYK (0.44) ALDH1A1NPC1RAB9ASYKSMN1; SMN2
SCHEMBL6089044 0.78 DHODH (0.38) SMN1; SMN2MAPTHTT
SCHEMBL20692998 0.77 SYK (0.43) ABCB1HTR1ADRD2ALDH1A1NPC1
SCHEMBL6088023 0.77 MAPT (0.46) NPC1RAB9AMAOBSMN1; SMN2MAPT
SCHEMBL6088496 0.74 MAOB (0.51) ALDH1A1MAOBKDM4E
SCHEMBL6088577 0.74 FYN (0.47) ALDH1A1MAOBSMN1; SMN2KDM4E
SCHEMBL6089665 0.74 MAPK1 (0.41) HTR1AALDH1A1RAB9AMAPT
SCHEMBL6090607 0.73 MAPT (0.46) SMN1; SMN2MAPTHTT

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-7005440-B1 Therapeutic uses of tri-aryl acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-02-28 US disclosed
EP-1177176-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2000064876-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO disclosed