SCHEMBL13634754

SCHEMBL13634754

CN1CCOCC1c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
DRD2 P14416 1/20 0.39
CHRNA7 P36544 2/20 0.38
MAOB P27338 1/20 0.38
PHGDH O43175 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MGLL Q99685 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
SLC6A3 Q01959 1/20 0.37
MALT1 Q9UDY8 1/20 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
SCHEMBL30433564 0.83 MDM2 (0.39) CHRNA7ALDH1A1TSHRMGLL
SCHEMBL27367885 0.83 ATR (0.40) CHRNA7MAOB
SCHEMBL2606078 0.83 ATR (0.40) CHRNA7MAOB
SCHEMBL2606087 0.82 CHRNB2 (0.55) CHRNA7TSHR
SCHEMBL16130585 0.82 CHRNB2 (0.55) CHRNA7TSHR
SCHEMBL27829534 0.82 MAOB (0.40) CCNCCDK8DRD2CHRNA7MAOB
SCHEMBL16130557 0.82 CHRNB2 (0.55) CHRNA7TSHR
SCHEMBL27829535 0.82 MAOB (0.40) CCNCCDK8DRD2CHRNA7MAOB
Bromide SCHEMBL5224743 0.81 CHRNB2 (0.53) CHRNA7TSHR
SCHEMBL13634727 0.80 SMN1; SMN2 (0.44) DRD2CHRNA7ALDH1A1SMN1; SMN2

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
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed