SCHEMBL5842567

SCHEMBL5842567

COc1cccc(N2CC(C(=O)Nc3ccc(N(C)c4nc(C)cc(C)n4)cc3)CC2=O)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
ALDH1A1 P00352 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
USP2 O75604 1/20 0.60
GAA P10253 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.56
HPGD P15428 1/20 0.56
MCL1 Q07820 1/20 0.56
HIF1A Q16665 1/20 0.56
POLB P06746 1/20 0.55
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TSHR P16473 1/20 0.50
CYP2C9 P11712 1/20 0.48
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL5842523 0.91 ALDH1A1 (0.58) MAPTALDH1A1NPSR1USP2GAA
SCHEMBL5844742 0.90 ALDH1A1 (0.67) MAPTALDH1A1NPSR1GAASMN1; SMN2
SCHEMBL5841214 0.89 MAPT (0.58) MAPTALDH1A1NPSR1USP2GAA
SCHEMBL5842942 0.87 MAPT (0.53) MAPTALDH1A1NPSR1USP2GAA
SCHEMBL5842320 0.86 SMN1; SMN2 (0.69) MAPTALDH1A1NPSR1USP2GAA
SCHEMBL5842951 0.86 ALDH1A1 (0.61) MAPTALDH1A1NPSR1USP2GAA
SCHEMBL5842345 0.85 NPSR1 (0.64) MAPTALDH1A1NPSR1USP2GAA
SCHEMBL27617642 0.85 POLB (0.60) MAPTALDH1A1NPSR1USP2SMN1; SMN2
SCHEMBL5842555 0.83 NPSR1 (0.61) MAPTALDH1A1NPSR1USP2GAA
SCHEMBL5842831 0.82 MAPT (0.65) MAPTALDH1A1NPSR1USP2GAA

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-7067549-B2 Pyrrolidone carboxamides ACTELION PHARMACEUTICALS AG (CH) 2006-06-27 US disclosed