SCHEMBL7647117

SCHEMBL7647117

CCCCCCCCCCCc1cc2cc3nc(cc4ccc(cc5nc(cc1[nH]2)C=C5)[nH]4)C=C3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TYR P14679 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ GPR84 Q9NQS5 4/20 0.34
▸ TLR8 Q9NR97 1/20 0.34
▸ PTGS2 P35354 3/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ S1PR5 Q9H228 1/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ STAT1 P42224 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
SCHEMBL27884482 1.00 KCNH2 (0.35) KCNH2MEN1TP53CYP3A4ALOX5
SCHEMBL3522374 1.00 KCNH2 (0.35) KCNH2MEN1TP53CYP3A4ALOX5
SCHEMBL27901576 1.00 KCNH2 (0.35) KCNH2MEN1TP53CYP3A4ALOX5
SCHEMBL28044443 1.00 KCNH2 (0.35) KCNH2MEN1TP53CYP3A4ALOX5
SCHEMBL15510966 1.00 KCNH2 (0.35) KCNH2MEN1TP53CYP3A4ALOX5
SCHEMBL29560227 1.00 KCNH2 (0.35) KCNH2MEN1TP53CYP3A4ALOX5
SCHEMBL3520097 1.00 KCNH2 (0.35) KCNH2MEN1TP53CYP3A4ALOX5
SCHEMBL28598440 0.99 KCNH2 (0.34) KCNH2MEN1TP53CYP3A4ALOX5
SCHEMBL28782992 0.99 KCNH2 (0.34) KCNH2MEN1TP53CYP3A4ALOX5
SCHEMBL5133633 0.99 TLR8 (0.35) KCNH2MEN1TP53CYP3A4ALOX5

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
WO-2002008500-A2 IN SITU REGROWTH AND PURIFICATION OF CRYSTALLINE THIN FILMS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2002-01-31 — — WO disclosed
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