SCHEMBL5070355

SCHEMBL5070355

CCN(C1CCN(Cc2ccc(F)c(NC(=O)Nc3ccc(C)nc3)c2)CC1)[S+]([O-])CC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.39
RAB9A P51151 1/20 0.39
CCR3 P51677 3/20 0.38
TP53 P04637 1/20 0.37
ACKR3 P25106 4/20 0.37
ALDH1A1 P00352 1/20 0.37
THRB P10828 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
P2RY1 P47900 1/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
PIK3R1 P27986 1/20 0.36
MTOR P42345 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL401833 0.85 TP53 (0.43) GALR3RAB9ACCR3TP53ACKR3
SCHEMBL402389 0.85 RAB9A (0.43) GALR3RAB9ACCR3TP53ACKR3
SCHEMBL402362 0.84 RAB9A (0.40) GALR3RAB9ACCR3TP53ACKR3
SCHEMBL398774 0.84 ALDH1A1 (0.44) GALR3RAB9ACCR3TP53ACKR3
SCHEMBL402769 0.84 ALDH1A1 (0.44) GALR3RAB9ACCR3TP53ACKR3
SCHEMBL398834 0.84 KCNH2 (0.43) GALR3RAB9ACCR3TP53ACKR3
SCHEMBL401209 0.84 RAB9A (0.44) GALR3RAB9ACCR3TP53ACKR3
SCHEMBL545115 0.84 KCNH2 (0.45) GALR3RAB9ACCR3ACKR3THRB
SCHEMBL402434 0.83 GALR3 (0.45) GALR3RAB9ACCR3TP53ACKR3
SCHEMBL401419 0.82 GALR3 (0.41) GALR3RAB9ACCR3TP53ACKR3

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-1959960-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
WO-2007070683-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 WO disclosed