SCHEMBL9251285

SCHEMBL9251285

COc1ccc(SC)c2c1CC(N)(C#N)CC2

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
USP2 O75604 1/20 0.31
ADRA1A P35348 2/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL9251629 0.77 ADRA1A (0.32) KDM4EALDH1A1ADRA1AHPGDHSD17B10
SCHEMBL8620656 0.75 ADRA2A (0.48)
SCHEMBL8989387 0.65 ADRA1A (0.73) ADRA1A
SCHEMBL8615826 0.64 KDM4E (0.45) KDM4EALDH1A1ADRA1AHPGDHSD17B10
Hydrochloric Acid SCHEMBL11037944 0.64 ADRA1A (0.71) ADRA1A
SCHEMBL8615518 0.62 ADRA1A (0.40) KDM4EALDH1A1ADRA1AHPGDHSD17B10
SCHEMBL11037972 0.62 ADRA1A (0.73) ADRA1A
SCHEMBL11039763 0.60 CHRM3 (0.57) ADRA1A
SCHEMBL29858876 0.60 PDE4B (0.47)
SCHEMBL11039127 0.60 DRD2 (0.56) ADRA1A

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-5464859-A Alpha adrenergic antagonist ADIR ET COMPAGNIE (FR) 1995-11-07 US disclosed