SCHEMBL11782814

SCHEMBL11782814

Nc1ccc(C(OC(c2ccc(N)cc2)c2ccccc2Cl)c2ccccc2Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 8/20 0.58
TDO2 P48775 8/20 0.58
IDO2 Q6ZQW0 3/20 0.58
TSHR P16473 4/20 0.41
HIF1A Q16665 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NR1I2 O75469 1/20 0.41
ABCB11 O95342 1/20 0.41
LMNA P02545 1/20 0.41
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
MAPT P10636 1/20 0.41
CNR1 P21554 1/20 0.41
SLC6A2 P23975 1/20 0.41
ACAT1 P24752 1/20 0.41

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
SCHEMBL11778315 0.81 IDO1 (0.53) IDO1TDO2IDO2TSHRHIF1A
SCHEMBL9771546 0.79 IDO1 (0.50) IDO1TDO2IDO2TSHRHIF1A
SCHEMBL11777166 0.79 IDO1 (0.55) IDO1TDO2IDO2TSHRCYP2C9
SCHEMBL5009566 0.79 TSHR (0.44) IDO1TDO2IDO2TSHRHIF1A
SCHEMBL31409210 0.79 TSHR (0.44) IDO1TDO2IDO2TSHRHIF1A
SCHEMBL3924304 0.76 IDO1 (0.47) IDO1TDO2IDO2TSHRCYP2C9
SCHEMBL11780210 0.74 IDO1 (0.52) IDO1TDO2IDO2TSHRHIF1A
SCHEMBL11778678 0.74 IDO1 (0.56) IDO1TDO2TSHRHIF1ALMNA
SCHEMBL11376301 0.69 ALDH1A1 (0.45) IDO1TDO2IDO2LMNAMAPT
SCHEMBL11092514 0.68 CYP3A4 (0.50) IDO1TDO2IDO2CYP2C9LMNA

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