SCHEMBL9503610

SCHEMBL9503610

CCOc1cc(C)cc(N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.53
CYP3A4 P08684 1/20 0.53
ALDH1A1 P00352 5/20 0.52
TSHR P16473 2/20 0.52
TDP1 Q9NUW8 2/20 0.50
NQO1 P15559 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
HSD17B10 Q99714 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RECQL P46063 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
SCHEMBL150433 0.89 NQO1 (0.52) TP53CYP3A4ALDH1A1TSHRTDP1
SCHEMBL2153419 0.86 TP53 (0.61) TP53CYP3A4ALDH1A1TSHRTDP1
SCHEMBL7043105 0.86 TP53 (0.61) TP53CYP3A4ALDH1A1TSHRTDP1
SCHEMBL2970581 0.84 NQO1 (0.52) TP53CYP3A4TSHRTDP1NQO1
SCHEMBL8646385 0.79 GAA (0.49) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL14832881 0.78 CYP3A4 (0.53) TP53CYP3A4ALDH1A1TSHRTDP1
SCHEMBL10635818 0.78 TP53 (0.51) TP53ALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL6251418 0.77 TP53 (0.52) TP53CYP3A4ALDH1A1TSHRTDP1
SCHEMBL1629471 0.77 TP53 (0.52) TP53CYP3A4ALDH1A1TSHRTDP1
SCHEMBL30345364 0.77 TP53 (0.52) TP53CYP3A4ALDH1A1TSHRTDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548307-A1 PROCESS FOR THE OXIDATIVE COLOURING OF HAIR Wella Aktiengesellschaft (DE) 1993-06-30 EP disclosed
WO-1993001792-A1 PROCESS FOR THE OXIDATIVE COLOURING OF HAIR WELLA AKTIENGESELLSCHAFT (DE) 1993-02-04 WO disclosed