SCHEMBL1030972

SCHEMBL1030972

Cc1ccc(C(=O)c2c(C)cn(C)c2C(=O)N2CCN(C3CCCCCC3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 6/20 0.49
L3MBTL1 Q9Y468 5/20 0.49
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 3/20 0.47
POLB P06746 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
MBTD1 Q05BQ5 4/20 0.43
KDM2B Q8NHM5 1/20 0.43
KMT2A Q03164 1/20 0.43
PKM P14618 1/20 0.42

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
SCHEMBL1031602 0.90 L3MBTL3 (0.54) L3MBTL3L3MBTL1ALDH1A1KDM4EMBTD1
SCHEMBL1030954 0.83 ALDH1A1 (0.48) L3MBTL3L3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL12835172 0.80 L3MBTL3 (0.73) L3MBTL3L3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL15759144 0.79 L3MBTL3 (0.75) L3MBTL3L3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL17888342 0.76 L3MBTL3 (0.70) L3MBTL3L3MBTL1ALDH1A1KDM4EPOLB
SCHEMBL12237822 0.73 L3MBTL3 (0.65) L3MBTL3L3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL1032266 0.73 KDM4E (0.55) L3MBTL3L3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL1032819 0.73 TSHR (0.59) ALDH1A1KMT2A
SCHEMBL1027632 0.73 L3MBTL3 (0.51) L3MBTL3L3MBTL1MBTD1
SCHEMBL12237814 0.72 L3MBTL3 (0.69) L3MBTL3L3MBTL1ALDH1A1KDM4EPOLB

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