SCHEMBL14827384

SCHEMBL14827384

CCCCCCCCCCCCCCCCCCCCOc1cc(C)cc(N2C(=O)c3ccc4c5c(Br)cc6c7c(ccc(c8c(Br)cc(c3c48)C2=O)c75)C(=O)N(c2cc(C)cc(OCCCCCCCCCCCCCCCCCCCC)c2)C6=O)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 6/20 0.42
▸ SMPD1 P17405 3/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PLA2G2A P14555 1/20 0.33
▸ ALDH2 P05091 1/20 0.32
▸ THRA P10827 1/20 0.32
▸ THRB P10828 1/20 0.32

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 0.85 KMT2A (0.39) PTPN1KMT2A
SCHEMBL14706337 0.84 THRA (0.35) SMPD1THRATHRB
SCHEMBL14827380 0.83 MAPT (0.35) SMPD1MEN1KMT2ATHRATHRB
SCHEMBL14827382 0.83 MAPT (0.35) SMPD1MEN1KMT2ATHRATHRB
SCHEMBL15078808 0.83 ALOX5 (0.36) SMPD1
SCHEMBL15077489 0.82 S1PR5 (0.32) SMPD1THRATHRB
SCHEMBL8188990 0.82 KMT2A (0.42) GRM5MEN1USP2KMT2AKEAP1
SCHEMBL15077495 0.82 MAPT (0.36) PTPN1ALDH2THRATHRB
SCHEMBL470774 0.80 FAAH (0.38) —
SCHEMBL15077485 0.78 ALOX5 (0.35) SMPD1

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-20130085249-A1 CONJUGATED POLYMER BASED ON PERYLENE TETRACARBOXYLIC ACID DIIMIDE AND DIBENZOTHIOPHENE AND THE PREPARATION METHOD AND APPLICATION THEREOF OCEAN'S KING LIGHTING SCIENCE &TECHNOLOGY CO., LTD (CN) 2013-04-04 — — US disclosed
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