SCHEMBL20733809

SCHEMBL20733809

Clc1ccc(-c2cc3ccccc3c3ccccc23)c(-c2cc3ccccc3o2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.45
MAOA P21397 2/20 0.45
PDE4D Q08499 1/20 0.44
PTPRC P08575 1/20 0.43
PTPN1 P18031 1/20 0.43
AHR P35869 1/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
ADRA2A P08913 1/20 0.38
TNKS O95271 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37

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
SCHEMBL25824624 0.84 AHR (0.45) MAOBMAOAPDE4DAHRKMT2A
SCHEMBL25912057 0.81 ALDH1A1 (0.47) AHRTDP1
SCHEMBL20733838 0.77 THRB (0.39) MAOBMAOAAHRMAPT
SCHEMBL20733817 0.77 ALOX5 (0.50) AHRKMT2AMEN1MAPTGABRP
SCHEMBL25911712 0.77 AHR (0.56) AHRKMT2AMEN1TNKSMAPT
SCHEMBL25911682 0.77 AHR (0.49) AHRKMT2AMEN1RAB9ATNKS
SCHEMBL20175208 0.76 MAOB (0.68) MAOBMAOAPDE4DPTPRCPTPN1
SCHEMBL20175207 0.76 MAOB (0.68) MAOBMAOAPDE4DPTPRCPTPN1
SCHEMBL30789895 0.75 GPR84 (0.44) KMT2AMEN1MAPTKDM4E
SCHEMBL25911498 0.74 ALDH1A1 (0.49) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019031605-A1 FUSED RING COMPOUND 東ソー株式会社 2019-02-14 WO disclosed