SCHEMBL1030744

SCHEMBL1030744

CCN(CC)CCCNC(=O)c1c(-c2ccc(Cl)cc2)c(C)cn1CC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 3/20 0.47
LMNA P02545 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
THRB P10828 2/20 0.45
ATM Q13315 2/20 0.45
ACKR3 P25106 1/20 0.43
TP53 P04637 3/20 0.42
MAPT P10636 3/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40

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
SCHEMBL1031707 0.94 POLB (0.46) POLBALDH1A1MAPK1LMNAKDM4E
SCHEMBL1032354 0.76 ALDH1A1 (0.44) POLBALDH1A1LMNAKDM4EHPGD
SCHEMBL1031848 0.76 RAB9A (0.53) POLBALDH1A1LMNAHPGDNPSR1
SCHEMBL1032566 0.75 AURKA (0.47) POLBALDH1A1MAPK1LMNAKDM4E
SCHEMBL1748908 0.73 GCGR (0.43) NPSR1BCL2
SCHEMBL1027640 0.73 GAA (0.35) POLBMAPTTSHRMEN1KMT2A
SCHEMBL1032074 0.72 RAB9A (0.39) TP53MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1032118 0.71 POLB (0.40) POLBALDH1A1MAPK1LMNAKDM4E
SCHEMBL1031266 0.70 CCR1 (0.44) MEN1KMT2A
SCHEMBL1031856 0.69 BCL2 (0.35) TP53MAPTBCL2

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-2035375-B1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2011-01-19 EP claimed