SCHEMBL2595192

SCHEMBL2595192

NC(=O)Cc1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ICMT O60725 14/20 0.74
PLA2G2A P14555 2/20 0.57
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL2594641 0.87 ICMT (0.65) ICMTPLA2G2AALDH1A1SMN1; SMN2
SCHEMBL4354844 0.86 ICMT (0.54) ICMTALDH1A1LMNASMN1; SMN2
SCHEMBL3859905 0.84 ADAM17 (0.55) ICMTALDH1A1LMNA
SCHEMBL3859902 0.84 ADAM17 (0.55) ICMTALDH1A1LMNA
SCHEMBL9231831 0.83 ICMT (1.00) ICMT
SCHEMBL8289938 0.83 PLA2G2A (0.74) ICMTPLA2G2AALDH1A1LMNASMN1; SMN2
SCHEMBL16026993 0.82 HTR6 (0.55) ICMTALDH1A1SMN1; SMN2
SCHEMBL8176536 0.81 ICMT (0.63) ICMTALDH1A1LMNASMN1; SMN2
SCHEMBL8806145 0.81 YES1 (0.55) ICMTALDH1A1LMNA
SCHEMBL3849405 0.80 ADAM17 (0.54) ICMTPLA2G2AALDH1A1LMNA

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