SCHEMBL2836729

SCHEMBL2836729

CC(OC(=O)Nc1nc2ccccc2s1)C(CCC(=O)O)N(C)C(=O)NCc1cccc(F)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
RECQL P46063 1/20 0.41
NPC1 O15118 6/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 5/20 0.38
MAPT P10636 4/20 0.38
MAPK1 P28482 2/20 0.38
CYP1A2 P05177 1/20 0.37
NFKB1 P19838 1/20 0.37
CYP2C19 P33261 1/20 0.37
STAT1 P42224 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
HPGD P15428 1/20 0.37
FFAR2 O15552 1/20 0.36
CSNK1D P48730 2/20 0.35

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
SCHEMBL212433 1.00 RAB9A (0.41) RAB9AMEN1KMT2ARECQLNPC1
SCHEMBL211087 0.86 RAB9A (0.44) RAB9AMEN1KMT2ARECQLNPC1
SCHEMBL211088 0.86 RAB9A (0.44) RAB9AMEN1KMT2ARECQLNPC1
SCHEMBL2840109 0.84 RAB9A (0.42) RAB9AMEN1KMT2ARECQLNPC1
SCHEMBL209967 0.81 CTSK (0.37) RAB9AALDH1A1MAPK1
SCHEMBL212323 0.81 MAPT (0.40) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL211144 0.79 RAB9A (0.43) RAB9AMEN1KMT2ARECQLNPC1
SCHEMBL211145 0.79 RAB9A (0.43) RAB9AMEN1KMT2ARECQLNPC1
SCHEMBL2843927 0.78 ABL1 (0.37) MAPK1
SCHEMBL210584 0.78 ABL1 (0.37) MAPK1

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