SCHEMBL13638884

SCHEMBL13638884

COCCNC(=O)c1cc(CN2CCC[C@@H]2COC)ccc1NC(=O)c1csc(N(C)CCOC)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.47
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC1 Q13547 1/20 0.44
ACKR3 P25106 1/20 0.36
DRD2 P14416 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
VEGFA P15692 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
MBTPS1 Q14703 1/20 0.34
ABCB1 P08183 2/20 0.33

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
SCHEMBL13634595 0.96 S1PR1 (0.49) S1PR1HDAC8HDAC6HDAC1ACKR3
SCHEMBL13162957 0.93 S1PR1 (0.42) S1PR1HDAC8HDAC6HDAC1ACKR3
SCHEMBL13634788 0.92 S1PR1 (0.48) S1PR1HDAC8HDAC6HDAC1DRD2
SCHEMBL13634780 0.92 S1PR1 (0.48) S1PR1HDAC8HDAC6HDAC1ACKR3
SCHEMBL13638928 0.90 S1PR1 (0.48) S1PR1HDAC8HDAC6HDAC1DRD2
SCHEMBL13638887 0.90 S1PR1 (0.47) S1PR1HDAC8HDAC6HDAC1ACKR3
SCHEMBL13162967 0.88 HDAC8 (0.50) S1PR1HDAC8HDAC6HDAC1ACKR3
SCHEMBL13638906 0.87 F10 (0.37) S1PR1ACKR3
SCHEMBL13634841 0.85 S1PR1 (0.49) S1PR1HDAC8HDAC6HDAC1ACKR3
SCHEMBL13270723 0.84 S1PR1 (0.42) S1PR1HDAC8HDAC6HDAC1SIGMAR1

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