SCHEMBL10940488

SCHEMBL10940488

COC(=O)[C@@](C)(CCC#N)NC(=O)c1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CTSS P25774 2/20 0.39
CTSB P07858 2/20 0.39
CTSL P07711 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.37
HDAC3 O15379 3/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 3/20 0.37
CTSK P43235 1/20 0.37
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
NPC1 O15118 2/20 0.36

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
SCHEMBL10940483 1.00 OGG1 (0.40) OGG1KMT2AMEN1CYP1A2ATM
SCHEMBL10938163 0.87 TRPV1 (0.33) KMT2AMEN1POLBPRSS1CTSG
SCHEMBL10934466 0.87 MAPK1 (0.42) KMT2AMEN1CYP1A2L3MBTL1LMNA
SCHEMBL10938164 0.87 TRPV1 (0.33) KMT2AMEN1POLBPRSS1CTSG
SCHEMBL10937589 0.87 CTSL (0.44) KMT2AATMCTSSCTSLLMNA
SCHEMBL10934472 0.87 MAPK1 (0.42) KMT2AMEN1CYP1A2L3MBTL1LMNA
SCHEMBL10937584 0.87 CTSL (0.44) KMT2AATMCTSSCTSLLMNA
SCHEMBL10936648 0.87 OGG1 (0.41) OGG1KMT2AMEN1CYP1A2CTSS
SCHEMBL10936654 0.87 OGG1 (0.41) OGG1KMT2AMEN1CYP1A2CTSS
SCHEMBL10938064 0.84 CA12 (0.43) L3MBTL1POLBHDAC6

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-4545942-A IMMUNOREGULATORS; ANTITUMOR AGENTS SANKYO COMPANY, LIMITED (JP) 1985-10-08 US claimed