SCHEMBL19901437

SCHEMBL19901437

COc1cccc(/C=C(\N)C=O)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
KMT2A Q03164 1/20 0.54
TAAR1 Q96RJ0 1/20 0.53
CHRM5 P08912 1/20 0.50
MAPT P10636 1/20 0.50
CYP19A1 P11511 1/20 0.49
NQO2 P16083 1/20 0.49
PARP1 P09874 1/20 0.49
RELA Q04206 1/20 0.49
FOS P01100 1/20 0.47
JUN P05412 1/20 0.47
BCHE P06276 1/20 0.47
MAOB P27338 1/20 0.47
FBP1 P09467 1/20 0.46
NFE2L2 Q16236 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46

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
SCHEMBL3406654 0.81 MEN1 (0.59) MEN1ALDH1A1KMT2ATAAR1CHRM5
SCHEMBL28221267 0.81 ALDH1A1 (0.56) MEN1ALDH1A1KMT2ACHRM5MAPT
SCHEMBL6906151 0.81 ALDH1A1 (0.56) MEN1ALDH1A1KMT2ACHRM5MAPT
SCHEMBL22791460 0.81 TAAR1 (0.57) MEN1ALDH1A1KMT2ATAAR1CHRM5
SCHEMBL29042852 0.79 CHRM5 (0.56) MEN1ALDH1A1KMT2ATAAR1CHRM5
SCHEMBL1029483 0.77 PARP1 (0.58) MEN1ALDH1A1KMT2ATAAR1CHRM5
SCHEMBL14198012 0.77 CHRM5 (0.58) MEN1ALDH1A1KMT2ATAAR1CHRM5
SCHEMBL9416087 0.77 TAAR1 (0.53) MEN1ALDH1A1KMT2ATAAR1CHRM5
SCHEMBL28577973 0.76 KMT2A (0.65) MEN1ALDH1A1KMT2ACHRM5MAPT
SCHEMBL7684603 0.76 NPC1 (0.65) ALDH1A1CHRM5CYP19A1NQO2RELA

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-9901567-B2 Substituted CC-1065 analogs and their conjugates SYNTARGA B.V. (NL) 2018-02-27 US disclosed