SCHEMBL11921045

SCHEMBL11921045

Cc1ccc(C[C@@H](C)NC(=O)C2(NC(=O)c3cnccn3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
CNR1 P21554 1/20 0.46
HTT P42858 1/20 0.45
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CTSL P07711 1/20 0.41
CCR5 P51681 1/20 0.41
LONP1 P36776 4/20 0.41
PSMB5 P28074 4/20 0.41
PSMB11 A5LHX3 3/20 0.41
PSMA7 O14818 3/20 0.41
PSMB1 P20618 3/20 0.41
PSMA1 P25786 3/20 0.41
PSMA2 P25787 3/20 0.41
PSMA3 P25788 3/20 0.41
PSMA4 P25789 3/20 0.41

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
SCHEMBL11920719 0.89 CNR1 (0.47) SMN1; SMN2RAB9ANPC1CNR1HTT
SCHEMBL3081564 0.87 PSMB5 (0.53) SMN1; SMN2RAB9ANPC1CNR1LONP1
SCHEMBL12180708 0.87 PSMB5 (0.53) SMN1; SMN2RAB9ANPC1CNR1LONP1
SCHEMBL464435 0.77 PSMB5 (0.54) SMN1; SMN2CNR1LONP1PSMB5PSMB11
SCHEMBL464439 0.76 PSMB5 (0.53) CNR1CYP1A2LONP1PSMB5PSMB11
SCHEMBL464428 0.75 LONP1 (0.64) LONP1PSMB5PSMB11PSMA7PSMB1
SCHEMBL20095238 0.74 CTSL (0.64) SMN1; SMN2RAB9ANPC1HTTCTSL
SCHEMBL11933676 0.74 CTSL (0.64) SMN1; SMN2RAB9ANPC1HTTCTSL
SCHEMBL3752620 0.74 PSMB5 (0.74) PSMB5PSMB11PSMA7PSMB1PSMA1
SCHEMBL14302378 0.72 PSMB11 (0.42) SMN1; SMN2RAB9ANPC1CNR1HTT

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-2212334-B1 PROTEASOME INHIBITORS MILLENNIUM PHARM INC (US) 2012-08-15 EP disclosed