SCHEMBL10782015

SCHEMBL10782015

COc1cc(N)c(C)cc1N=C1C(C)=CC(=O)C(NC(C)=O)=C1C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
MAPT P10636 2/20 0.30
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30
HTT P42858 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
MCL1 Q07820 1/20 0.30
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL10784612 0.81 POLB (0.33) KDM4E
SCHEMBL11318486 0.79 KDM4E (0.35) KDM4EMAPTHTT
SCHEMBL11312372 0.79 MAPT (0.34) KDM4EHSP90AA1HSP90AB1MAPTALDH1A1
SCHEMBL11315221 0.77 CYP3A4 (0.32) MAPK1SMN1; SMN2
SCHEMBL11795132 0.76 MAPT (0.40) KDM4EHSP90AA1MAPTHTTALDH1A1
SCHEMBL11092708 0.73 LMNA (0.30) MAPT
Acetic Acid SCHEMBL11810691 0.73 MAPT (0.36) KDM4EMAPTHTT
SCHEMBL11084435 0.71 HTT (0.35) HTTALDH1A1
SCHEMBL11309175 0.71 GAA (0.36) MAPTALDH1A1
SCHEMBL11406725 0.71 HSP90AA1 (0.31) HSP90AA1HSP90AB1

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
US-4675130-A HAIR DYES L'OREAL (FR) 1987-06-23 US disclosed
US-4246181-A HAIR DYE L'OREAL (FR) 1981-01-20 US disclosed