SCHEMBL2936602

SCHEMBL2936602

CCOc1ccc(-c2c(N)cccc2Nc2cccc(O)c2-c2cccc(OCC)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAP4K4 O95819 1/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 2/20 0.40
MAPK10 P53779 1/20 0.40
BRD4 O60885 1/20 0.40
BRD2 P25440 1/20 0.40
CREBBP Q92793 1/20 0.40
NOTUM Q6P988 1/20 0.40
MAPT P10636 2/20 0.38
DHODH Q02127 3/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
HDAC3 O15379 1/20 0.37

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
SCHEMBL2934582 0.85 TP53 (0.51) RXRARXRBTP53CYP3A4MAP4K4
SCHEMBL2934501 0.82 TDP1 (0.47) TP53CYP3A4LMNAMAPTKMT2A
SCHEMBL2939441 0.70 HDAC4 (0.57) CYP3A4GAAMAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL2938124 0.69 HDAC4 (0.55) CYP3A4GAAMAPTKMT2AMEN1
SCHEMBL11017769 0.67 RXRA (0.51) RXRARXRBTP53CYP3A4MAP4K4
SCHEMBL398405 0.67 TP53 (0.56) RXRARXRBTP53CYP3A4MAP4K4
SCHEMBL9260410 0.67 RXRA (0.66) RXRARXRBTP53CYP3A4MAP4K4
SCHEMBL29426410 0.67 RXRA (0.66) RXRARXRBTP53CYP3A4MAP4K4
SCHEMBL5688174 0.66 TP53 (0.60) RXRARXRBTP53CYP3A4MAP4K4
SCHEMBL1337788 0.66 TP53 (0.65) RXRARXRBTP53CYP3A4MAP4K4

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
EP-1494995-B1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS PROCTER & GAMBLE (US) 2010-09-22 EP claimed