SCHEMBL2201503

SCHEMBL2201503

Cc1nn(-c2cccc(C=Cc3ccc(Cl)cc3)c2)c(C)c1C(=O)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MBTD1 Q05BQ5 5/20 0.42
L3MBTL3 Q96JM7 12/20 0.41
L3MBTL1 Q9Y468 9/20 0.41
L3MBTL4 Q8NA19 1/20 0.40
LRRK2 Q5S007 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.38
TP53BP1 Q12888 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
SCHEMBL2201497 1.00 KMT2A (0.43) KMT2AMBTD1L3MBTL3L3MBTL1L3MBTL4
SCHEMBL2200316 0.99 KMT2A (0.44) KMT2AMBTD1L3MBTL3L3MBTL1L3MBTL4
SCHEMBL2200314 0.99 KMT2A (0.44) KMT2AMBTD1L3MBTL3L3MBTL1L3MBTL4
SCHEMBL2200600 0.92 KMT2A (0.46) KMT2AL3MBTL1HRH3LMNAMEN1
SCHEMBL2200597 0.92 KMT2A (0.46) KMT2AL3MBTL1HRH3LMNAMEN1
SCHEMBL2200656 0.92 EPHX2 (0.47) KMT2AL3MBTL3L3MBTL1LMNAMEN1
SCHEMBL2200653 0.92 EPHX2 (0.47) KMT2AL3MBTL3L3MBTL1LMNAMEN1
SCHEMBL12429457 0.91 KMT2A (0.40) KMT2AMBTD1L3MBTL3L3MBTL1L3MBTL4
SCHEMBL2202742 0.87 KMT2A (0.50) KMT2AMBTD1L3MBTL3L3MBTL1L3MBTL4
SCHEMBL2200189 0.87 MCHR1 (0.42) KMT2AL3MBTL1LMNAMEN1

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-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed