SCHEMBL8810004

SCHEMBL8810004

CCCCNC(=O)C(C#N)CCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 2/20 0.46
▸ RRM1 P23921 1/20 0.42
▸ EPHX1 P07099 4/20 0.41
▸ GNAI3 P08754 1/20 0.41
▸ GNAO1 P09471 1/20 0.41
▸ GNAI1 P63096 1/20 0.41
▸ ACHE P22303 4/20 0.40
▸ MMP2 P08253 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ MGLL Q99685 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ HBB P68871 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MMP8 P22894 1/20 0.37
▸ FNTA P49354 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
SCHEMBL11444768 0.78 DPP7 (0.44) DPP7RRM1EPHX1GNAI3GNAO1
SCHEMBL8609324 0.76 DPP7 (0.43) DPP7RRM1EPHX1GNAI3GNAO1
SCHEMBL10433522 0.76 BIRC2 (0.44) USP2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL25405485 0.75 HDAC7 (0.56) DPP7RRM1EPHX1GNAI3GNAO1
SCHEMBL17371336 0.73 MCL1 (0.39) DPP7MMP2USP2
SCHEMBL12313322 0.73 MCL1 (0.39) DPP7MMP2USP2
SCHEMBL9462370 0.73 DPP7 (0.52) DPP7RRM1EPHX1GNAI3GNAO1
SCHEMBL3925869 0.73 DPP7 (0.52) DPP7RRM1EPHX1GNAI3GNAO1
SCHEMBL6943898 0.73 DPP7 (0.52) DPP7RRM1EPHX1GNAI3GNAO1
SCHEMBL12754572 0.73 DPP7 (0.52) DPP7RRM1EPHX1GNAI3GNAO1

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-1997003040-A1 METHOD FOR CONVERTING POLYAMIDES INTO NITROGEN-CONTAINING COMPOUNDS RHONE-POULENC FIBRES & POLYMERES S.A. (FR) 1997-01-30 — — WO disclosed
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