SCHEMBL21300979

SCHEMBL21300979

Cc1cc(-c2ccc(-c3cc(C=O)cc(C=O)c3)c3nsnc23)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.37
▸ HPGD P15428 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL21301096 0.85 MAPT (0.46) APPKDM4EMAPT
SCHEMBL14948642 0.84 APP (0.32) APP
SCHEMBL21300893 0.82 ESR1 (0.35) APPHPGDNPC1SMN1; SMN2ESR1
SCHEMBL10299944 0.81 ESR1 (0.41) HPGDESR1ESR2KDM4EMAPT
SCHEMBL21005811 0.81 MAPT (0.46) APPMAPT
SCHEMBL21300978 0.80 MAPT (0.34) APPESR1MAPT
SCHEMBL21300982 0.77 MAPT (0.35) APPESR1MAPT
SCHEMBL14948638 0.77 APP (0.33) APP
SCHEMBL21300972 0.77 NEK2 (0.46) APPKDM4EMAPT
SCHEMBL38658903 0.77 APP (0.43) APPSMN1; SMN2ESR1KDM4EMAPT

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
EP-2776515-B1 ORGANIC COLOURANT AND USES THEREOF IN PHOTOVOLTAIC CELLS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2019-08-28 — — EP disclosed
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