SCHEMBL15077495

SCHEMBL15077495

CCCCCCCCCCCCCCCCCCCCc1cc(N2C(=O)c3ccc4c5c(Br)cc6c7c(ccc(c8c(Br)cc(c3c48)C2=O)c75)C(=O)N(c2cc(CCCCCCCCCCCCCCCCCCCC)c(-c3ccc(OCCCCCCCCCCCC)cc3)c(CCCCCCCCCCCCCCCCCCCC)c2)C6=O)cc(CCCCCCCCCCCCCCCCCCCC)c1-c1ccc(OCCCCCCCCCCCC)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.36
▸ ALDH2 P05091 1/20 0.35
▸ RARB P10826 3/20 0.34
▸ PTPN11 Q06124 2/20 0.34
▸ PTPN1 P18031 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ THRA P10827 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ CNR2 P34972 4/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TSHR P16473 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
SCHEMBL17514371 0.84 KMT2A (0.39) MAPTPTPN1SMN1; SMN2TSHR
SCHEMBL14827384 0.82 GRM5 (0.42) ALDH2PTPN1THRATHRB
SCHEMBL14706337 0.79 THRA (0.35) MAPTPTPN11THRATHRBCNR2
SCHEMBL15077489 0.79 S1PR5 (0.32) MAPTNR1H2NR1H3THRATHRB
SCHEMBL470774 0.79 FAAH (0.38) NR1H2NR1H3NPC1RAB9A
SCHEMBL15078808 0.78 ALOX5 (0.36) CNR2
SCHEMBL17514402 0.77 MGLL (0.49) RARBNR1H2NR1H3
SCHEMBL17514387 0.77 MGLL (0.49) RARBNR1H2NR1H3
SCHEMBL15077485 0.76 ALOX5 (0.35) CNR2
SCHEMBL14827380 0.76 MAPT (0.35) MAPTTHRATHRBCNR2SMN1; SMN2

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-20130165616-A1 PERYLENETETRACARBOXYLIC DIIMIDE ORGANIC SEMICONDUCTOR MATERIAL AND THE PREPARATION METHOD AND APPLICATION THEREOF OCEAN'S KING LIGHTING SCIENCE & TECHNOLOGY CO., LTD. (CN) 2013-06-27 — — US disclosed
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