SCHEMBL8807138

SCHEMBL8807138

Cn1nccc1-c1cccc(C#N)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ICMT O60725 3/20 0.56
CLK4 Q9HAZ1 1/20 0.53
EGLN2 Q96KS0 1/20 0.50
NOTUM Q6P988 1/20 0.46
MAOB P27338 1/20 0.46
USP30 Q70CQ3 1/20 0.46
GRM5 P41594 4/20 0.45
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
NT5E P21589 1/20 0.44
IDO1 P14902 2/20 0.43
SCN9A Q15858 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA5 P30532 1/20 0.43
CHRNA4 P43681 1/20 0.43

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
SCHEMBL20817543 0.78 ICMT (0.76) ICMTSCN9A
SCHEMBL30618813 0.78 ICMT (0.76) ICMTSCN9A
SCHEMBL13035808 0.77 NT5E (0.50) ICMTNT5E
SCHEMBL980384 0.76 PIK3CD (0.50) ICMTNT5E
SCHEMBL28718890 0.76 PIK3CD (0.43) ICMTUSP30CTSVCTSLCTSB
SCHEMBL2658997 0.76 CTSA (0.44) ICMTUSP30NT5E
SCHEMBL16404618 0.76 KDM5A (0.48) ICMTEGLN2NOTUMUSP30GRM5
SCHEMBL20817541 0.76 NT5E (0.63) NT5E
SCHEMBL30797840 0.76 NT5E (0.63) NT5E
SCHEMBL11473783 0.75 EGLN2 (0.68) CLK4EGLN2GRM5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO disclosed