SCHEMBL11779988

SCHEMBL11779988

Cc1ccc(N)c(C(OC(c2ccc(Cl)cc2)c2cc(C)ccc2N)c2ccc(Cl)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 5/20 0.51
▸ TDO2 P48775 5/20 0.51
▸ CYP3A4 P08684 5/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ APP P05067 1/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ TSHR P16473 2/20 0.34
▸ LMNA P02545 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
SCHEMBL11089915 0.83 CYP3A4 (0.41) IDO1TDO2CYP3A4TDP1SMN1; SMN2
SCHEMBL9771532 0.77 IDO1 (0.50) IDO1TDO2TDP1SMN1; SMN2TP53
SCHEMBL11780210 0.76 IDO1 (0.52) IDO1TDO2CYP3A4TDP1ADRB2
SCHEMBL11779446 0.73 ESR1 (0.44) IDO1TDO2CYP3A4TDP1ALDH1A1
SCHEMBL9771561 0.70 ACHE (0.42) IDO1TDO2TDP1L3MBTL1ALDH1A1
SCHEMBL4668171 0.70 IDO1 (0.61) IDO1TDO2TDP1SMN1; SMN2TP53
SCHEMBL27590145 0.69 TDP1 (0.52) CYP3A4TDP1SMN1; SMN2ALOX15TP53
SCHEMBL11778678 0.69 IDO1 (0.56) IDO1TDO2TDP1SMN1; SMN2TP53
SCHEMBL21292106 0.67 TDP1 (0.50) CYP3A4TDP1SMN1; SMN2ALOX15TP53
SCHEMBL22044375 0.67 TDP1 (0.45) CYP3A4TDP1SMN1; SMN2ALOX15TP53

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
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