SCHEMBL11779010

SCHEMBL11779010

Nc1cccc(C(OC(c2ccc(Cl)cc2)c2cccc(N)c2)c2ccc(Cl)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 9/20 0.50
TDO2 P48775 9/20 0.50
ALDH1A1 P00352 1/20 0.45
IDO2 Q6ZQW0 1/20 0.40
CYP3A4 P08684 4/20 0.38
CASP1 P29466 1/20 0.38
RECQL P46063 1/20 0.38
CYP2D6 P10635 3/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
KCNH2 Q12809 2/20 0.38
CPN1 P15169 1/20 0.36
CPB2 Q96IY4 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
ADRB2 P07550 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL11093862 0.85 IDO1 (0.46) IDO1TDO2IDO2CYP3A4CASP1
SCHEMBL11376301 0.82 ALDH1A1 (0.45) IDO1TDO2ALDH1A1IDO2LMNA
SCHEMBL11777390 0.82 CYP3A4 (0.38) IDO1TDO2ALDH1A1CYP3A4CASP1
SCHEMBL11778678 0.81 IDO1 (0.56) IDO1TDO2ALDH1A1SLC6A3ADRB2
SCHEMBL7763010 0.79 ALDH1A1 (0.50) IDO1TDO2ALDH1A1CYP3A4CASP1
SCHEMBL10978800 0.79 IDO1 (0.46) IDO1TDO2ALDH1A1IDO2CYP3A4
SCHEMBL4668171 0.78 IDO1 (0.61) IDO1TDO2SLC6A3ADRB2LMNA
SCHEMBL18623178 0.78 CA1 (0.55) IDO1TDO2ALDH1A1CYP3A4CASP1
SCHEMBL11778315 0.76 IDO1 (0.53) IDO1TDO2ALDH1A1IDO2CYP3A4
SCHEMBL11780622 0.71 IDO1 (0.56) IDO1TDO2ALDH1A1IDO2CYP3A4

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
US-3956264-A Basic azo dyestuffs having indolyl-methyleneamino substituent in the diazo component BAYER AKTIENGESELLSCHAFT (DT) 1976-05-11 US disclosed