SCHEMBL4770946

SCHEMBL4770946

CC(=O)N1CCOC(CNC(=O)c2ccc(N(Cc3cccc(Cl)c3Cl)[S+](C)[O-])cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.39
HPGD P15428 6/20 0.38
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 3/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP2C9 P11712 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
KDM4E B2RXH2 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.34
CXCR3 P49682 1/20 0.34
CACNA1H O95180 1/20 0.34

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
SCHEMBL4793581 0.94 RECQL (0.41) RECQLHPGDKMT2ASMN1; SMN2NPC1
SCHEMBL4775217 0.85 RECQL (0.56) RECQLHPGDKMT2ASMN1; SMN2NPC1
SCHEMBL4777398 0.85 KMT2A (0.45) KMT2ANPC1ALDH1A1LMNAMEN1
SCHEMBL4775167 0.84 KDM4E (0.39) SMN1; SMN2ALDH1A1LMNAKDM4EGAA
SCHEMBL4771345 0.78 RECQL (0.60) RECQLHPGDKMT2ASMN1; SMN2NPC1
SCHEMBL4773589 0.75 RECQL (0.52) RECQLHPGDKMT2ASMN1; SMN2NPC1
SCHEMBL4767621 0.69 RECQL (0.49) RECQLKMT2ANPC1POLBALDH1A1
SCHEMBL4774938 0.68 RECQL (0.49) RECQLHPGDKMT2ASMN1; SMN2POLB
SCHEMBL5360990 0.68 GRIN2B (0.47) HPGDKMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL14425383 0.68 GRIN2B (0.47) HPGDKMT2ASMN1; SMN2ALDH1A1LMNA

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-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP claimed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed