SCHEMBL9541860

SCHEMBL9541860

O=C(CN1C(=O)/C(=C\c2ccc(CCl)c(CCl)c2)c2ccccc21)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.45
MAPT P10636 7/20 0.45
SNCA P37840 7/20 0.45
CCKBR P32239 1/20 0.40
PTPN1 P18031 2/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
EP300 Q09472 5/20 0.39
CTRB1 P17538 1/20 0.39
TRPA1 O75762 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL9540868 0.86 MAPT (0.47) APPMAPTSNCACCKBRPTPN1
SCHEMBL9540886 0.86 MAPT (0.47) APPMAPTSNCACCKBRPTPN1
SCHEMBL9774421 0.78 CCKBR (0.43) APPMAPTSNCACCKBRPTPN1
SCHEMBL9543560 0.78 CCKBR (0.43) APPMAPTSNCACCKBRPTPN1
SCHEMBL9774427 0.77 TRPA1 (0.42) APPMAPTSNCAPTPN1KMT2A
SCHEMBL9541539 0.77 TRPA1 (0.42) APPMAPTSNCAPTPN1KMT2A
SCHEMBL9541006 0.77 CCKBR (0.43) APPMAPTSNCACCKBRPTPN1
SCHEMBL9774452 0.75 EP300 (0.45) APPMAPTSNCAPTPN1KMT2A
SCHEMBL9540933 0.75 EP300 (0.45) APPMAPTSNCAPTPN1KMT2A
SCHEMBL9540923 0.74 EP300 (0.48) PTPN1KMT2AMEN1EP300

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-1993012786-A1 INDOLINONE DERIVATIVES HOWARD HARRY R JR (US) 1993-07-08 WO disclosed