SCHEMBL10786288

SCHEMBL10786288

COc1cc(N=C2C=C(NC(C)=O)C(=O)C=C2C)c(OC)cc1N

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
HTT P42858 3/20 0.34
MAPT P10636 2/20 0.34
S100B P04271 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
GAA P10253 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PKM P14618 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
SCHEMBL11318486 0.92 KDM4E (0.35) KDM4EHTTMAPT
SCHEMBL10787625 0.85 ALDH1A1 (0.36) HTTMAPTGAAALDH1A1
SCHEMBL10784122 0.80 S100B (0.38) KDM4EHTTMAPTS100BTDP1
SCHEMBL11323978 0.79 MAPT (0.35) KDM4EHTTMAPTGAAALDH1A1
Acetic Acid SCHEMBL11810691 0.74 MAPT (0.36) KDM4EHTTMAPTGAA
SCHEMBL11783316 0.73 TDP1 (0.31) TDP1
SCHEMBL11316324 0.73 TP53 (0.33) TDP1
SCHEMBL10784128 0.72 NPC1 (0.36) MAPTTDP1ALDH1A1LMNAPKM
SCHEMBL11414969 0.71 MAPT (0.36) KDM4EMAPTTDP1GAAALDH1A1
SCHEMBL10783938 0.71 ALDH1A1 (0.33) ALDH1A1

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-4675130-A HAIR DYES L'OREAL (FR) 1987-06-23 US disclosed