SCHEMBL9201485

SCHEMBL9201485

Cc1ccsc1C1=NCCN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 16/20 1.00
ADRA1A P35348 2/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1B P35368 1/20 0.49
CYP2A6 P11509 2/20 0.41
HTR1D P28221 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL6826296 0.73 NISCH (0.55) NISCHADRA1AADRA1DADRA1B
SCHEMBL11631748 0.70 NISCH (0.54) NISCH
SCHEMBL12917958 0.69 NISCH (0.53) NISCHADRA1AHTR1D
SCHEMBL722595 0.68 CYP2A6 (0.56) NISCHCYP2A6CYP2E1CYP3A4CYP2D6
SCHEMBL8832471 0.67 NISCH (1.00) NISCHADRA1AADRA1DADRA1B
SCHEMBL1626317 0.67 NISCH (1.00) NISCH
SCHEMBL3742115 0.66 NISCH (0.56) NISCH
SCHEMBL22476609 0.66 NISCH (0.55) NISCHHTR1D
SCHEMBL1886692 0.66 NISCH (1.00) NISCHADRA1AHTR1D
SCHEMBL5476725 0.65 NISCH (0.79) NISCHADRA1AHTR1D

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
EP-0341213-B1 5-Aryl-substituted-2,3-dihydro-imidazo [1,2-a]furo[3,2-c]- or thieno[2,3-c]pyridines SANDOZ AG (CH) 1995-02-22 EP disclosed
EP-0341213-A2 5-Aryl-substituted-2,3-dihydro-imidazo [1,2-a]furo[3,2-c]- or thieno[2,3-c]pyridines SANDOZ AG (CH) 1989-11-08 EP disclosed