SCHEMBL2594425

SCHEMBL2594425

Cn1nc(CC(N)=O)c2ccc(F)cc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ICMT O60725 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NR2F2 P24468 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ PTGDR2 Q9Y5Y4 11/20 0.42
▸ SSTR4 P31391 2/20 0.41
▸ KDM4C Q9H3R0 1/20 0.41
▸ USP2 O75604 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ TDO2 P48775 1/20 0.39

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
SCHEMBL2588997 0.79 KDM4E (0.46) ICMTSMN1; SMN2POLBTSHRHTT
SCHEMBL13106217 0.79 GRM4 (0.43) ICMTSSTR4KDM4C
SCHEMBL15093813 0.78 MAP3K14 (0.44) SSTR4KDM4CIDO1TDO2
SCHEMBL31429419 0.78 MAP3K14 (0.44) SSTR4KDM4CIDO1TDO2
SCHEMBL1163228 0.77 ATM (0.37) ICMTSMN1; SMN2POLBTSHRNR2F2
SCHEMBL19570373 0.74 SSTR4 (0.35) ICMTSMN1; SMN2POLBTSHRNR2F2
SCHEMBL20646913 0.73 L3MBTL1 (0.44) SMN1; SMN2HTTSSTR4KDM4CIDO1
SCHEMBL29805505 0.73 KDM4C (0.49) SMN1; SMN2SSTR4KDM4CIDO1TDO2
SCHEMBL30579705 0.72 HTR2A (0.41) ICMTSMN1; SMN2POLBTSHRNR2F2
Trifluoroacetic Acid SCHEMBL15093796 0.72 SCN9A (0.44) SSTR4KDM4CIDO1TDO2

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-2011138265-A2 INDOLE AND INDAZOLE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-11-10 — — WO disclosed
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