SCHEMBL4780455

SCHEMBL4780455

COCCOCc1csc(NC(=O)NCCc2ccc(Br)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.48
ROCK2 O75116 3/20 0.44
ROCK1 Q13464 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 2/20 0.43
CNR1 P21554 1/20 0.43
AOC3 Q16853 2/20 0.41
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
AKT3 Q9Y243 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 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
SCHEMBL4727253 0.90 ROCK1 (0.48) ROCK2ROCK1MEN1KMT2ARAB9A
SCHEMBL4780086 0.81 ROCK1 (0.54) ROCK2ROCK1
SCHEMBL4725670 0.80 ROCK2 (0.55) ROCK2ROCK1MEN1KMT2ARAB9A
SCHEMBL4780451 0.80 ROCK2 (0.48) ROCK2ROCK1MEN1KMT2AKDM4E
SCHEMBL4776809 0.80 ROCK1 (0.46) ROCK2ROCK1RAB9AMAPK1
SCHEMBL4726466 0.79 ROCK1 (0.49) ROCK2ROCK1MEN1KMT2ALMNA
SCHEMBL4725195 0.79 LMNA (0.44) ROCK2ROCK1MEN1KMT2ALMNA
SCHEMBL4778386 0.78 ROCK1 (0.46) ROCK2ROCK1LMNAKDM4ENPC1
SCHEMBL4777271 0.78 ROCK1 (0.48) ROCK2ROCK1LMNASMN1; SMN2AKT3
SCHEMBL4726382 0.78 ROCK1 (0.46) ROCK2ROCK1MEN1KMT2ARAB9A

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