SCHEMBL12687985

SCHEMBL12687985

Cc1ccc2c(c1)sc1c3ccc(-c4ccc(C)s4)cc3sc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.40
▸ HTR1D P28221 1/20 0.37
▸ HTR1B P28222 1/20 0.37
▸ BCL2L1 Q07817 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ APP P05067 5/20 0.36
▸ MAPT P10636 4/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HDAC1 Q13547 3/20 0.35
▸ HDAC2 Q92769 3/20 0.35
▸ SNCA P37840 1/20 0.34
▸ HDAC3 O15379 2/20 0.34
▸ LIMK1 P53667 3/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL18267827 0.95 PGR (0.39) PGRHTR1DHTR1BBCL2L1MCL1
SCHEMBL18267858 0.93 PGR (0.44) PGRHTR1DHTR1BMAPTNPC1
SCHEMBL18267878 0.90 PGR (0.42) PGRHTR1DHTR1BMAPTNPC1
SCHEMBL18267829 0.88 PGR (0.43) PGRHTR1DHTR1BMAPTNPC1
SCHEMBL14282513 0.87 PGR (0.40) PGRHTR1DHTR1BBCL2L1MCL1
SCHEMBL14282492 0.87 PGR (0.40) PGRHTR1DHTR1BBCL2L1MCL1
SCHEMBL14282502 0.87 PGR (0.40) PGRHTR1DHTR1BBCL2L1MCL1
SCHEMBL14282491 0.87 PGR (0.40) PGRHTR1DHTR1BBCL2L1MCL1
SCHEMBL18326352 0.87 PGR (0.40) PGRHTR1DHTR1BBCL2L1MCL1
SCHEMBL18470305 0.86 LIMK1 (0.41) PGRHTR1DHTR1BLIMK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10937964-B2 Organic semiconductor material TOKYO INSTITUTE OF TECHNOLOGY (JP) 2021-03-02 — — US disclosed
EP-3193383-A1 COMPOSITION FOR FORMING ORGANIC SEMICONDUCTOR FILM, ORGANIC SEMICONDUCTOR FILM AND METHOD FOR MANUFACTURING SAME, AND ORGANIC SEMICONDUCTOR COMPOUND Fujifilm Corporation (JP) 2017-07-19 — — EP disclosed
WO-2012121393-A1 ORGANIC SEMICONDUCTOR MATERIAL 国立大学法人東京工業大学 (JP) 2012-09-13 — — WO disclosed
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