SCHEMBL2880895

SCHEMBL2880895

CC(=O)N(CCOC(=O)Nc1cccc(C)n1)NCc1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
RAB9A P51151 8/20 0.41
NPC1 O15118 6/20 0.41
GBA1 P04062 2/20 0.40
MEN1 O00255 2/20 0.40
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
GRM5 P41594 1/20 0.39
MAPT P10636 3/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SORT1 Q99523 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.37

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
SCHEMBL209559 0.81 RAB9A (0.39) KMT2ARAB9ANPC1MEN1TP53
SCHEMBL210936 0.81 ALDH1A1 (0.41) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL211381 0.79 KMT2A (0.48) KMT2ARAB9ANPC1MEN1POLB
SCHEMBL209913 0.79 GCK (0.39) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL212593 0.79 EPHX2 (0.39) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL212616 0.78 RAB9A (0.60) KMT2ARAB9ANPC1MEN1TP53
SCHEMBL212071 0.78 ALDH1A1 (0.56) RAB9ANPC1TP53SMN1; SMN2LMNA
SCHEMBL4342546 0.78 RAB9A (0.58) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL8509643 0.78 KMT2A (0.48) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL211547 0.77 CSNK1D (0.46) RAB9ANPC1SMN1; SMN2MAPTLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2195328-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Incorporated (US) 2010-06-16 EP disclosed
WO-2009023193-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-02-19 WO disclosed