SCHEMBL1031707

SCHEMBL1031707

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.46
ALDH1A1 P00352 5/20 0.46
LMNA P02545 5/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 1/20 0.46
ACKR3 P25106 1/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 5/20 0.41
MEN1 O00255 4/20 0.41
TP53 P04637 4/20 0.41
RAD52 P43351 2/20 0.41
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MDM4 O15151 1/20 0.40
MDM2 Q00987 1/20 0.40
THRB P10828 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL1030744 0.94 POLB (0.47) POLBALDH1A1LMNAKDM4EHPGD
SCHEMBL1032354 0.78 ALDH1A1 (0.44) POLBALDH1A1LMNAKDM4EHPGD
SCHEMBL1031848 0.77 RAB9A (0.53) POLBALDH1A1LMNAHPGDKMT2A
SCHEMBL1032566 0.76 AURKA (0.47) POLBALDH1A1LMNAKDM4EKMT2A
SCHEMBL1748908 0.75 GCGR (0.43) NPSR1BCL2
SCHEMBL1032074 0.73 RAB9A (0.39) KMT2AMAPTMEN1TP53MDM2
SCHEMBL1027640 0.72 GAA (0.35) POLBKMT2AMAPTMEN1RAD52
SCHEMBL1031266 0.71 CCR1 (0.44) KMT2AMEN1GAACYP2C19
SCHEMBL1031726 0.69 KDM4E (0.49) POLBALDH1A1KDM4EHPGDKMT2A
SCHEMBL1029785 0.67 LMNA (0.51) POLBALDH1A1LMNAKDM4EKMT2A

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