SCHEMBL10784122

SCHEMBL10784122

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.38
PKM P14618 1/20 0.36
MAPT P10636 3/20 0.34
HTT P42858 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 4/20 0.33
GAA P10253 2/20 0.33
CYP3A4 P08684 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
TSHR P16473 1/20 0.30
APAF1 O14727 1/20 0.30
MITF O75030 1/20 0.30
LMNA P02545 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
Acetic Acid SCHEMBL11810691 0.85 MAPT (0.36) MAPTHTTPOLBGAAKDM4E
SCHEMBL11326616 0.82 ALDH1A1 (0.37) MAPTHTTALDH1A1GAACYP3A4
SCHEMBL10786288 0.80 KDM4E (0.35) S100BPKMMAPTHTTL3MBTL1
SCHEMBL11306628 0.78 KDM4E (0.37) MAPTHTTL3MBTL1ALDH1A1GAA
SCHEMBL10786366 0.75 MAPT (0.41) S100BPKMMAPTHTTL3MBTL1
SCHEMBL11829768 0.73 HTT (0.43) S100BPKMMAPTHTTL3MBTL1
SCHEMBL10782066 0.73 MAPT (0.36) MAPTHTTALDH1A1LMNA
SCHEMBL11318486 0.72 KDM4E (0.35) MAPTHTTKDM4E
SCHEMBL10786792 0.68 MAPT (0.36) MAPTHTTALDH1A1GAAKDM4E
SCHEMBL10784612 0.68 POLB (0.33) POLBGAAKDM4E

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