SCHEMBL9201982

SCHEMBL9201982

CC(COc1ccc(N)cc1N)OO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.51
MAPT P10636 4/20 0.51
ALDH1A1 P00352 2/20 0.51
USP2 O75604 2/20 0.51
KDM4E B2RXH2 2/20 0.51
CASP1 P29466 2/20 0.51
TP53 P04637 2/20 0.51
POLB P06746 2/20 0.51
HTT P42858 2/20 0.51
MEN1 O00255 1/20 0.51
CASP7 P55210 1/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 1/20 0.51
CYP2C19 P33261 1/20 0.49
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CREBBP Q92793 1/20 0.37
XDH P47989 1/20 0.36

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
SCHEMBL3380493 0.85 GAA (0.53) GAAMAPTALDH1A1USP2KDM4E
SCHEMBL9651420 0.83 CYP2C19 (0.63) GAAMAPTALDH1A1USP2KDM4E
SCHEMBL8134520 0.82 ALDH1A1 (0.73) GAAMAPTALDH1A1USP2KDM4E
SCHEMBL11234372 0.82 GAA (0.58) GAAMAPTALDH1A1USP2KDM4E
Hydrochloric Acid SCHEMBL9760551 0.81 CYP2C19 (0.61) GAAMAPTALDH1A1USP2KDM4E
SCHEMBL11150521 0.80 GAA (0.55) GAAMAPTALDH1A1USP2KDM4E
SCHEMBL5712797 0.79 MAPT (0.53) GAAMAPTALDH1A1USP2KDM4E
SCHEMBL11151986 0.79 GAA (0.53) GAAMAPTALDH1A1USP2KDM4E
Hydrochloric Acid SCHEMBL11158509 0.79 GAA (0.58) GAAMAPTALDH1A1USP2KDM4E
Hydrochloric Acid SCHEMBL11155467 0.76 GAA (0.54) GAAMAPTALDH1A1USP2KDM4E

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-0652742-A1 USE OF 3-SUBSTITUTED PARA-AMINOPHENOLS FOR DYEING KERATINOUS FIBRES AND NOVEL SUBSTITUTED 3-PARA-AMINOPHENOLS. OREAL (FR) 1995-05-17 EP disclosed