SCHEMBL4783804

SCHEMBL4783804

Cc1c(C(N)=O)nc2ccccc2c1-c1cscn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ GRM2 Q14416 1/20 0.43
▸ METAP2 P50579 2/20 0.41
▸ METAP1 P53582 2/20 0.41
▸ TACR3 P29371 1/20 0.38
▸ GBA1 P04062 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ FKBP1A P62942 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ TDP1 Q9NUW8 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
SCHEMBL4783795 0.90 KDM4E (0.44) KDM4EHSD17B10GRM2METAP2METAP1
SCHEMBL1840712 0.75 ALDH1A1 (0.49) KDM4EHSD17B10GRM2TP53CYP1A2
SCHEMBL26606768 0.74 THRB (0.43) KDM4EGRM2RAB9A
SCHEMBL26606785 0.73 IKBKB (0.53) KDM4EHSD17B10NPC1TP53CYP1A2
SCHEMBL18670685 0.71 EEF2K (0.39) RAB9A
SCHEMBL16038368 0.70 KDM4E (0.46) KDM4EHSD17B10METAP2METAP1TACR3
Formamide SCHEMBL28891685 0.70 ALDH1A1 (0.44) KDM4EHSD17B10GRM2TP53CYP1A2
SCHEMBL18670688 0.68 EEF2K (0.35) KDM4EHSD17B10RAB9A
SCHEMBL9193444 0.68 MAPT (0.49) KDM4EHSD17B10TSHRSMN1; SMN2
SCHEMBL14930803 0.67 CYP1A2 (0.50) KDM4EHSD17B10GRM2METAP2METAP1

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-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 — — WO disclosed
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