SCHEMBL12852152

SCHEMBL12852152

CCNc1cc(C)cc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 4/20 0.44
THRB P10828 1/20 0.38
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
EGFR P00533 1/20 0.36
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
HPGD P15428 2/20 0.34
CYP2C19 P33261 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CASP1 P29466 1/20 0.33
RECQL P46063 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTR6 P50406 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
SCHEMBL3398764 0.86 ALDH1A1 (0.42) RAPGEF4IDO1EGFRALDH1A1CYP1A2
SCHEMBL3793129 0.86 EGFR (0.40) RAPGEF4EGFRALDH1A1CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL3396163 0.84 ALDH1A1 (0.41) RAPGEF4IDO1EGFRALDH1A1CYP1A2
SCHEMBL5280349 0.84 THRB (0.50) RAPGEF4THRBALDH1A1CYP1A2CYP2C9
SCHEMBL11528767 0.78 THRB (0.52) RAPGEF4THRBALDH1A1CYP1A2CYP2C9
SCHEMBL3787936 0.77 CYP3A4 (0.48) RAPGEF4IDO1EGFRALDH1A1CYP1A2
SCHEMBL20620250 0.77 RAPGEF4 (0.49) RAPGEF4IDO1TDO2EGFRALDH1A1
SCHEMBL17546644 0.75 THRA (0.40) RAPGEF4THRBALDH1A1MAPTKDM4E
SCHEMBL16786088 0.75 RAPGEF4 (0.48) RAPGEF4IDO1TDO2ALDH1A1MAPT
SCHEMBL12136032 0.74 RAPGEF4 (0.44) RAPGEF4THRBCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019217509-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER HB THERAPEUTICS INC. (US) 2019-11-14 WO disclosed
US-8278455-B2 5- or 6-substituted benzimidazole derivatives as inhibitors of respiratory syncytial virus replication JANSSEN PHARMACEUTICA N.V. (BE) 2012-10-02 US disclosed