SCHEMBL5805381

SCHEMBL5805381

[CH]C1c2ccccc2-c2ccc(Cl)c(Cl)c21

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.31
HTR2A P28223 1/20 0.31
CYP2A6 P11509 1/20 0.31
AHR P35869 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30

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
SCHEMBL851331 0.74
SCHEMBL1568413 0.72 GPR3 (0.46) GPR3HTR2A
SCHEMBL3701625 0.63 NOTUM (0.37)
SCHEMBL5618043 0.63 CACNB4 (0.39) GPR3HTR2ACYP2A6KDM4EALDH1A1
SCHEMBL28875963 0.62 HTR2B (0.38) HTR2ACYP2A6KDM4EALDH1A1HPGD
SCHEMBL1635439 0.62 HTR2B (0.51) CYP2A6KDM4EALDH1A1HPGDTSHR
SCHEMBL12429503 0.62 GPR3 (0.38) GPR3HTR2ACYP2A6KDM4EALDH1A1
SCHEMBL11800530 0.62 RAB9A (0.50) KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL18242146 0.62 HTR7 (0.41) CYP2A6KDM4EALDH1A1HPGDTSHR
SCHEMBL9126229 0.60 DPP4 (0.41) HTR2ACYP2A6KDM4EALDH1A1HPGD

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-2006102594-A1 NUCLEOSIDE PRODRUGS FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-09-28 WO disclosed