SCHEMBL13634337

SCHEMBL13634337

CCO[C@@H]1CCN(c2nccs2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.48
HRH3 Q9Y5N1 1/20 0.46
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CHI3L1 P36222 2/20 0.39
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
CHIT1 Q13231 1/20 0.39
CHI3L2 Q15782 1/20 0.39
CHIA Q9BZP6 1/20 0.39
ALDH1A1 P00352 1/20 0.39
DRD2 P14416 2/20 0.38
DRD4 P21917 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PIN1 Q13526 2/20 0.37

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
SCHEMBL13634396 0.88 NPC1 (0.42) PIK3CDHRH3NPC1RAB9AHPGD
SCHEMBL1025897 0.78 HRH3 (0.59) PIK3CDHRH3NPC1RAB9AHPGD
SCHEMBL27866750 0.77 HRH3 (0.54) PIK3CDHRH3NPC1RAB9AHPGD
SCHEMBL3982871 0.77 HRH3 (0.46) PIK3CDHRH3NPC1RAB9AHPGD
SCHEMBL3982869 0.77 HRH3 (0.46) PIK3CDHRH3NPC1RAB9AHPGD
SCHEMBL13634365 0.76 HRH3 (0.47) PIK3CDHRH3NPC1RAB9AALDH1A1
SCHEMBL13035394 0.75 HPGD (0.46) HRH3NPC1RAB9AHPGDHTT
SCHEMBL12988231 0.75 HRH3 (0.46) PIK3CDHRH3NPC1RAB9AHPGD
SCHEMBL12474577 0.74 HRH3 (0.51) PIK3CDHRH3NPC1RAB9AHPGD
SCHEMBL3570802 0.73 NPC1 (0.49) PIK3CDHRH3NPC1RAB9AHPGD

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