SCHEMBL9052702

SCHEMBL9052702

CN(C)c1ccc(-c2cc(N)cc3c2C(C)(C)OC3=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
HPGD P15428 2/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 2/20 0.40
TNNI3 P19429 1/20 0.39
TNNT2 P45379 1/20 0.39
TNNC1 P63316 1/20 0.39
CRHBP P24387 2/20 0.38
CRHR2 Q13324 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
PGR P06401 3/20 0.36
AR P10275 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
SCHEMBL8719849 0.84 ALDH1A1 (0.43) MEN1KMT2AALDH1A1CYP3A4TDP1
SCHEMBL14988864 0.69 POLB (0.36) MEN1KMT2AALDH1A1CYP3A4HPGD
SCHEMBL6571103 0.69 ALDH1A1 (0.56) MEN1KMT2AALDH1A1CYP3A4TDP1
SCHEMBL29723848 0.69 ALDH1A1 (0.57) MEN1KMT2AALDH1A1CYP3A4TDP1
SCHEMBL6744454 0.68 ALDH1A1 (0.65) MEN1KMT2AALDH1A1CYP3A4TDP1
SCHEMBL3894931 0.67 ALDH1A1 (0.41) MEN1KMT2AALDH1A1CYP3A4TDP1
SCHEMBL1680040 0.67 ALDH1A1 (0.58) MEN1KMT2AALDH1A1CYP3A4TDP1
SCHEMBL3398340 0.67 MEN1 (1.00) MEN1KMT2AALDH1A1CYP3A4TDP1
SCHEMBL3781477 0.67 MAOA (0.59) MEN1KMT2AALDH1A1CYP3A4TDP1
SCHEMBL302269 0.65 MEN1 (0.57) MEN1KMT2AALDH1A1CYP3A4TDP1

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
WO-1996006643-A1 MULTICHROMIC POLYMERS THE UNIVERSITY OF AKRON (US) 1996-03-07 WO disclosed