SCHEMBL13634364

SCHEMBL13634364

Cc1csc(N2CC[C@@H](O)C2)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.42
DPP4 P27487 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
F2RL3 Q96RI0 1/20 0.37
OGA O60502 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 3/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL29225087 1.00 HRH3 (0.46) HRH3L3MBTL1DPP4SMN1; SMN2NPC1
SCHEMBL13270746 0.86 L3MBTL1 (0.42) HRH3L3MBTL1DPP4SMN1; SMN2NPC1
SCHEMBL3555940 0.82 HRH3 (0.44) HRH3L3MBTL1DPP4SMN1; SMN2NPC1
SCHEMBL13634185 0.78 HRH3 (0.50) HRH3L3MBTL1DPP4SMN1; SMN2NPC1
SCHEMBL10136842 0.78 HRH3 (0.49) HRH3L3MBTL1DPP4SMN1; SMN2NPC1
SCHEMBL3435674 0.77 PTGER1 (0.46) HRH3SMN1; SMN2OGAALDH1A1
SCHEMBL3435745 0.77 PTGER1 (0.46) HRH3SMN1; SMN2OGAALDH1A1
SCHEMBL458365 0.76 HRH3 (0.48) HRH3L3MBTL1DPP4SMN1; SMN2NPC1
SCHEMBL10136897 0.76 L3MBTL1 (0.49) HRH3L3MBTL1DPP4SMN1; SMN2NPC1
SCHEMBL5724256 0.76 HRH3 (0.51) HRH3L3MBTL1SMN1; SMN2NPC1RAB9A

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