SCHEMBL10936628

SCHEMBL10936628

CCC(C#N)(CC)C(=O)NCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.62
MCL1 Q07820 1/20 0.51
MMP8 P22894 3/20 0.49
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
OPRK1 P41145 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.46
PPID Q08752 1/20 0.46
LMNA P02545 2/20 0.44
PLIN1 O60240 1/20 0.44
PLIN5 Q00G26 1/20 0.44
ABHD5 Q8WTS1 1/20 0.44
RAB9A P51151 1/20 0.44
EPHX2 P34913 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL10936211 0.88 RIPK1 (0.55) RIPK1MCL1MMP8ALDH1A1MAPT
SCHEMBL10938223 0.85 RIPK1 (0.52) RIPK1MCL1MMP8OPRK1SMN1; SMN2
SCHEMBL1709321 0.77 RIPK1 (1.00) RIPK1MMP8ALDH1A1MAPTOPRK1
SCHEMBL1709337 0.77 RIPK1 (0.75) RIPK1MMP8ALDH1A1MAPTOPRK1
SCHEMBL25464672 0.76 RIPK1 (0.68) RIPK1MMP8ALDH1A1MAPTOPRK1
SCHEMBL10990271 0.76 RIPK1 (0.68) RIPK1MMP8ALDH1A1MAPTOPRK1
SCHEMBL557055 0.76 RIPK1 (0.68) RIPK1MMP8ALDH1A1MAPTOPRK1
SCHEMBL7438658 0.76 RIPK1 (0.68) RIPK1MMP8ALDH1A1MAPTOPRK1
SCHEMBL1516186 0.74 RIPK1 (0.71) RIPK1MMP8ALDH1A1OPRK1SMN1; SMN2
SCHEMBL25932261 0.74 MCL1 (0.43) MCL1MMP8ALDH1A1

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
US-4537781-A Pharmaceutically useful malonamides RESEARCH CORPORATION (US) 1985-08-27 US disclosed
EP-0135189-A2 Pharmaceutically useful malonamides Research Corporation (US) 1985-03-27 EP disclosed