SCHEMBL1031848

SCHEMBL1031848

Cc1cn(CC(C)C)c(C(=O)NCCOc2ccccc2Cl)c1-c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.53
NPC1 O15118 5/20 0.53
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PKM P14618 1/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.41
KLKB1 P03952 1/20 0.40
POLB P06746 1/20 0.39
PPARD Q03181 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
BCL2 P10415 1/20 0.38

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
SCHEMBL1032473 0.85 RAB9A (0.48) RAB9ANPC1MEN1KMT2APKM
SCHEMBL1031707 0.77 POLB (0.46) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL1030744 0.76 POLB (0.47) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL1033737 0.74 NPC1 (0.49) RAB9ANPC1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1032566 0.72 AURKA (0.47) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL1032354 0.72 ALDH1A1 (0.44) RAB9AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1031541 0.70 RAB9A (0.53) RAB9ANPC1MEN1KMT2APKM
SCHEMBL1028662 0.69 LMNA (0.48) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL1031726 0.69 KDM4E (0.49) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL1748908 0.69 GCGR (0.43) NPSR1BCL2

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