SCHEMBL5070362

SCHEMBL5070362

Cc1ccc(NC(=O)Nc2cccc(CN3CCNC(C(=O)O)C3)c2F)cn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.40
DHODH Q02127 1/20 0.40
CCR3 P51677 9/20 0.40
MAPK8 P45983 2/20 0.39
MAPK10 P53779 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SIRT2 Q8IXJ6 2/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
S1PR1 P21453 1/20 0.37
F2 P00734 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
SCHEMBL3200332 1.00 RORC (0.40) RORCDHODHCCR3MAPK8MAPK10
SCHEMBL3200036 0.91 MAPK8 (0.38) RORCDHODHCCR3MAPK8MAPK10
SCHEMBL3206971 0.91 MLNR (0.43) MAPK8MAPK10NPC1RAB9ASMN1; SMN2
SCHEMBL3200382 0.91 MLNR (0.43) MAPK8MAPK10NPC1RAB9ASMN1; SMN2
SCHEMBL3198159 0.86 SIRT2 (0.39) RORCDHODHCCR3MAPK8MAPK10
SCHEMBL3214420 0.86 SIRT2 (0.39) RORCDHODHCCR3MAPK8MAPK10
SCHEMBL30605469 0.86 NPC1 (0.46) RORCDHODHCCR3MAPK8MAPK10
SCHEMBL26603996 0.86 NPC1 (0.46) RORCDHODHCCR3MAPK8MAPK10
SCHEMBL3196716 0.84 NPC1 (0.53) RORCDHODHCCR3MAPK8MAPK10
SCHEMBL3196777 0.82 RORC (0.41) RORCDHODHCCR3MAPK8MAPK10

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 4 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 claimed
WO-2007070683-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 WO claimed
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