SCHEMBL16155939

SCHEMBL16155939

CCCCCCCCn1c(=O)c2cc(Br)sc2c2sc(Br)cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ TNF P01375 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ RORA P35398 3/20 0.39
▸ RORC P51449 3/20 0.39
▸ RORB Q92753 3/20 0.39
▸ MGLL Q99685 4/20 0.38
▸ FAAH O00519 3/20 0.38
▸ PGR P06401 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ PTGS1 P23219 3/20 0.38
▸ PTGS2 P35354 3/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL15979462 1.00 TDP1 (0.45) TDP1L3MBTL1TNFADORA2BRORA
SCHEMBL2418945 1.00 TDP1 (0.45) TDP1L3MBTL1TNFADORA2BRORA
SCHEMBL16155984 1.00 TDP1 (0.45) TDP1L3MBTL1TNFADORA2BRORA
SCHEMBL15277852 1.00 TDP1 (0.45) TDP1L3MBTL1TNFADORA2BRORA
SCHEMBL13558215 0.92 RORA (0.41) TDP1L3MBTL1TNFADORA2BRORA
SCHEMBL12295134 0.84 TDP1 (0.38) TDP1L3MBTL1TNFADORA2BRORA
SCHEMBL15277859 0.83 TDP1 (0.41) TDP1L3MBTL1TNFADORA2BRORA
SCHEMBL15280937 0.82 PTGER4 (0.32) TDP1L3MBTL1RORARORCRORB
SCHEMBL15984262 0.80 SRC (0.39) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL19342531 0.80 HPGD (0.36) TDP1L3MBTL1TNFADORA2BMGLL

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-8859714-B1 Polymeric semiconductors and related devices NORTHWESTERN UNIVERSITY (US) 2014-10-14 — — US disclosed
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