SCHEMBL13638925

SCHEMBL13638925

Cc1ccccc1C(=O)NC1CC2CCC1C2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.70
HPGD P15428 2/20 0.65
ALDH1A1 P00352 2/20 0.65
KDM4E B2RXH2 1/20 0.65
TSHR P16473 1/20 0.65
HTT P42858 2/20 0.59
LMNA P02545 1/20 0.59
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
TAS1R3 Q7RTX0 2/20 0.53
TAS1R1 Q7RTX1 2/20 0.53
TAS1R2 Q8TE23 2/20 0.53
CNR2 P34972 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
EPHX2 P34913 1/20 0.50
PANK3 Q9H999 1/20 0.50
CYP3A4 P08684 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
P2RX7 Q99572 1/20 0.49

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
SCHEMBL3456168 0.83 HSD17B10 (0.66) HSD17B10HPGDALDH1A1KDM4ETSHR
SCHEMBL3705934 0.79 HTT (0.63) HSD17B10HPGDALDH1A1KDM4ETSHR
SCHEMBL13634586 0.79 NPC1 (0.56) HPGDNPC1RAB9ACNR2SMN1; SMN2
SCHEMBL13193072 0.79 NPC1 (0.59) HPGDALDH1A1NPC1RAB9ATAS1R3
SCHEMBL15983801 0.79 NPC1 (0.73) HSD17B10HPGDALDH1A1TSHRNPC1
SCHEMBL6356632 0.78 P2RX7 (0.61) HSD17B10HPGDALDH1A1KDM4ETSHR
Hydrochloric Acid SCHEMBL11301487 0.78 HTT (0.61) HSD17B10HPGDALDH1A1KDM4ETSHR
SCHEMBL15271409 0.77 NPC1 (0.58) HPGDALDH1A1NPC1RAB9ATAS1R3
SCHEMBL16018368 0.77 NPC1 (0.58) HPGDALDH1A1NPC1RAB9ATAS1R3
SCHEMBL27544844 0.77 NPC1 (0.58) HPGDALDH1A1NPC1RAB9ATAS1R3

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