SCHEMBL13634309

SCHEMBL13634309

COC(=O)c1cc(CN2C(C)CCC2C)ccc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.61
ALDH1A1 P00352 7/20 0.61
GAA P10253 4/20 0.61
HSD17B10 Q99714 3/20 0.61
MAPT P10636 3/20 0.61
HPGD P15428 3/20 0.61
ALOX15 P16050 1/20 0.61
TSHR P16473 1/20 0.61
CFTR P13569 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK1 P28482 1/20 0.40
GLA P06280 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
ABL1 P00519 1/20 0.38
CDC25B P30305 1/20 0.38

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
SCHEMBL13270617 0.88 KDM4E (0.62) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL13162597 0.84 KDM4E (0.54) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL13634249 0.82 KDM4E (0.58) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL13634184 0.80 ALDH1A1 (0.56) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL13162347 0.80 SIRT6 (0.50) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL13163942 0.79 KDM4E (0.57) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL13638809 0.77 KDM4E (0.52) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL495753 0.77 KDM4E (0.62) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL13163940 0.77 KDM4E (0.54) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL221403 0.77 ALDH1A1 (0.81) KDM4EALDH1A1GAAHSD17B10MAPT

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-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed