SCHEMBL7909507

SCHEMBL7909507

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.49
HPGD P15428 1/20 0.42
PPID Q08752 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPK14 Q16539 1/20 0.38
MAPT P10636 4/20 0.38
NAMPT P43490 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CACNA1C Q13936 1/20 0.38
SCN9A Q15858 1/20 0.38
CA9 Q16790 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL7919195 0.81 MCL1 (0.40) MCL1ALDH1A1TSHRSMN1; SMN2POLB
SCHEMBL7919231 0.80 MCL1 (0.59) MCL1HPGDALDH1A1MAPK14TSHR
SCHEMBL12292116 0.69 TSHR (0.65) HPGDALDH1A1L3MBTL1TSHRPOLB
SCHEMBL7919193 0.68 TSHR (0.45) ALDH1A1MAPTL3MBTL1TSHRSMN1; SMN2
SCHEMBL27760556 0.68 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2GAA
SCHEMBL654148 0.68 MCL1 (1.00) MCL1HPGDALDH1A1MAPTL3MBTL1
Ethyl Acetate SCHEMBL27687931 0.66 SMN1; SMN2 (0.69) PPIDALDH1A1MAPTNAMPTSMN1; SMN2
SCHEMBL11253671 0.66 MCL1 (0.96) MCL1HPGDALDH1A1MAPTL3MBTL1
SCHEMBL10988016 0.66 MEN1 (0.49) MCL1HPGDPPIDALDH1A1MAPT
SCHEMBL28454697 0.66 TSHR (0.53) ALDH1A1TSHRSMN1; SMN2POLBHDAC1

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
US-6211270-B1 HEAT AND LIGHT STABILIZERS FOR POLYMERS WITCO VINYL ADDITIVES GMBH (DE) 2001-04-03 US disclosed