SCHEMBL2933398

SCHEMBL2933398

Cc1ccc(C(=O)NC[C@H](NC(=O)c2cccc(-c3cccs3)n2)C(=O)NCCC(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
CTSS P25774 3/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 2/20 0.40
CTSL P07711 1/20 0.40
ERCC1 P07992 1/20 0.40
FEN1 P39748 1/20 0.40
ERCC4 Q92889 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
CNR2 P34972 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
CNR1 P21554 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 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
SCHEMBL2934060 0.87 ATM (0.44) ATMCYP3A4CYP1A2CYP2C19CTSS
SCHEMBL2935257 0.87 CNR2 (0.54) CYP3A4SMN1; SMN2CNR2NPC1RAB9A
SCHEMBL2933395 0.86 CYP3A4 (0.42) CYP3A4CYP1A2CYP2C19CTSSCTSB
SCHEMBL2934069 0.86 PSMB5 (0.51) CYP3A4CYP1A2CYP2C19CTSSCTSK
SCHEMBL2934033 0.80 CTSS (0.45) ATMCTSSCTSBCTSKCTSL
SCHEMBL2932488 0.80 ELANE (0.51) ATMCYP3A4ERCC1FEN1ERCC4
SCHEMBL2930110 0.79 NPC1 (0.40) CTSSCTSKSMN1; SMN2CNR2NPC1
SCHEMBL2931864 0.79 KMT2A (0.57) SMN1; SMN2NPC1RAB9AMAPTCNR1
SCHEMBL2934007 0.78 NPC1 (0.46) ATMCYP3A4CYP1A2CYP2C19CTSS
SCHEMBL2930834 0.78 SMN1; SMN2 (0.48) CYP3A4CYP1A2CYP2C19SMN1; SMN2NPC1

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
EP-1846424-B1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2010-01-27 EP claimed