SCHEMBL13634862

SCHEMBL13634862

CCCNC(=O)c1cc(N2CCC[C@@H]2COC)ccc1NC(=O)c1csc(N(C)CCOC)n1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.37
F10 P00742 1/20 0.36
ADORA2A P29274 9/20 0.36
ADORA1 P30542 9/20 0.36
MAP4K1 Q92918 1/20 0.36
NMT1 P30419 1/20 0.36
SYK P43405 1/20 0.35
FPR1 P21462 3/20 0.34
FPR2 P25090 3/20 0.34
ACKR3 P25106 1/20 0.34
PIM2 Q9P1W9 1/20 0.33
IDH1 O75874 1/20 0.32

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
SCHEMBL13638906 0.96 F10 (0.37) S1PR1F10ADORA2AADORA1MAP4K1
SCHEMBL13634521 0.91 JAK2 (0.35) S1PR1F10ACKR3
SCHEMBL13634893 0.90 ADORA2A (0.38) S1PR1F10ADORA2AADORA1MAP4K1
SCHEMBL13270438 0.90 ADORA2A (0.38) S1PR1F10ADORA2AADORA1MAP4K1
SCHEMBL13634595 0.87 S1PR1 (0.49) S1PR1ACKR3
SCHEMBL13638884 0.83 S1PR1 (0.47) S1PR1ACKR3
SCHEMBL13634668 0.80 F10 (0.37) S1PR1F10
SCHEMBL13634911 0.77 KMT2A (0.45) S1PR1F10
SCHEMBL13634788 0.77 S1PR1 (0.48) S1PR1MAP4K1
SCHEMBL13634780 0.77 S1PR1 (0.48) S1PR1MAP4K1ACKR3

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
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed