SCHEMBL17253281

SCHEMBL17253281

Cc1csc(C(=O)C2CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.57
KDM5A P29375 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2D6 P10635 1/20 0.39
CASP3 P42574 2/20 0.35
SENP7 Q9BQF6 2/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
CCR2 P41597 3/20 0.33
KDR P35968 2/20 0.33
GRIN2B Q13224 1/20 0.33

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
Hydrochloric Acid SCHEMBL9079121 0.88 MEN1 (0.55) DAOKDM5AMEN1KMT2ACYP2D6
SCHEMBL6214549 0.85 DAO (0.46) DAOKDM5AMEN1KMT2AHDAC1
SCHEMBL621204 0.78 CES2 (0.57) DAOMEN1KMT2A
SCHEMBL5859674 0.74 DAO (0.71) DAOKDM5ACASP3SENP7SENP8
SCHEMBL7368425 0.74 DAO (0.71) DAOKDM5ACASP3SENP7SENP8
SCHEMBL15219311 0.74 DAO (0.53) DAOMEN1KMT2ACYP2D6DRD2
SCHEMBL130041 0.73
SCHEMBL1612962 0.73
SCHEMBL3752532 0.72 DAO (0.61) DAOMEN1KMT2ACASP3SENP7
Hydrochloric Acid SCHEMBL11533312 0.71 DAO (0.95) DAOMEN1KMT2ACASP3SENP7

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
WO-2015170775-A1 SUBSTITUTED AZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES 日産化学工業株式会社 2015-11-12 WO disclosed