SCHEMBL4836394

SCHEMBL4836394

CCOCCOCc1csc(NC(=O)Nc2c(C)ccc(Cl)c2Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 1/20 0.44
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
NPC1 O15118 3/20 0.42
KDM4E B2RXH2 3/20 0.40
GAA P10253 1/20 0.40
ALOX12 P18054 1/20 0.40
RAB9A P51151 3/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL4782084 0.78 SMN1; SMN2 (0.49) MAPTLMNASMN1; SMN2TP53MEN1
SCHEMBL4780046 0.77 TSHR (0.46) MAPTLMNASMN1; SMN2KDM4EGAA
SCHEMBL4777271 0.69 ROCK1 (0.48) LMNASMN1; SMN2
SCHEMBL4865927 0.69 SMN1; SMN2 (0.63) MAPTLMNASMN1; SMN2KMT2ANPC1
SCHEMBL4726471 0.69 ROCK1 (0.47) LMNA
SCHEMBL4725491 0.69 ROCK1 (0.47) LMNA
SCHEMBL4777278 0.69 ROCK1 (0.44) LMNASMN1; SMN2
SCHEMBL4726466 0.68 ROCK1 (0.49) LMNAMEN1KMT2ARAB9A
SCHEMBL4959287 0.67 MAPK1 (0.56) MAPTLMNASMN1; SMN2TP53MEN1
SCHEMBL4727100 0.67 ROCK1 (0.42) SMN1; SMN2

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
WO-2008011191-A1 ANTIBACTERIAL HETEROCYCLIC UREAS REPLIDYNE, INC. (US) 2008-01-24 WO disclosed