SCHEMBL5073015

SCHEMBL5073015

Cc1ccc(NC(=O)Nc2cccc(CN3CCN(C(=O)N(C)C)C(C(=O)O)C3)c2F)cn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.41
DHODH Q02127 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CCR3 P51677 9/20 0.39
MAPK8 P45983 2/20 0.38
MAPK10 P53779 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DGAT1 O75907 2/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
S1PR1 P21453 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
SCHEMBL3204702 1.00 RORC (0.41) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL3201340 0.93 NPC1 (0.39) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL3205108 0.93 NPC1 (0.39) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL3196777 0.93 RORC (0.41) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL3214887 0.92 RORC (0.41) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL3210356 0.90 RORC (0.40) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL3191043 0.90 RORC (0.46) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL3204623 0.90 RORC (0.46) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL3198602 0.87 RORC (0.39) RORCDHODHNPC1RAB9ASMN1; SMN2
SCHEMBL3203598 0.87 RORC (0.41) RORCDHODHNPC1RAB9ASMN1; 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 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 claimed
WO-2007070683-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 WO claimed