SCHEMBL8917620

SCHEMBL8917620

CC(=O)N1CCCc2ccsc2C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.46
HSP90AA1 P07900 2/20 0.45
KCNQ2 O43526 2/20 0.43
RIPK1 Q13546 3/20 0.41
GRM5 P41594 1/20 0.39
PRMT5 O14744 2/20 0.38
WDR77 Q9BQA1 2/20 0.38
GFER P55789 1/20 0.38
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.37
CYP1A2 P05177 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDR P35968 1/20 0.37
BPTF Q12830 1/20 0.37
HHAT Q5VTY9 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
SCHEMBL10649424 0.90 NOTUM (0.57) NOTUMHSP90AA1KCNQ2GRM5PRMT5
SCHEMBL1425282 0.81 PRMT5 (0.47) KCNQ2PRMT5WDR77
SCHEMBL23018016 0.80 HSP90AA1 (0.42) HSP90AA1KCNQ2RIPK1PRMT5WDR77
SCHEMBL8680487 0.80 NOTUM (0.57) NOTUMHSP90AA1KCNQ2PRMT5WDR77
SCHEMBL7795095 0.80 ESR2 (0.49) HSP90AA1KCNQ2RIPK1PRMT5WDR77
SCHEMBL21899394 0.75 HSP90AA1 (0.55) NOTUMHSP90AA1KCNQ2GRM5PRMT5
SCHEMBL7227468 0.75 NOTUM (0.80) NOTUMRIPK1PRMT5WDR77
SCHEMBL7880301 0.73 HSP90AA1 (0.47) NOTUMHSP90AA1KCNQ2GRM5PRMT5
SCHEMBL15492426 0.73 HSP90AA1 (0.50) HSP90AA1KCNQ2GRM5PRMT5WDR77
SCHEMBL12810928 0.72 AKR1C3 (0.45) HSP90AA1KCNQ2RIPK1PRMT5WDR77

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5691330-A ANTIPSYCHOTIC AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-11-25 US disclosed
US-5532240-A ANTIPSYCHOTIC AGENTS AND ANTISEROTONIN AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-02 US disclosed
EP-0596125-A1 CONDENSED THIOPHENE COMPOUND AND PHARMACEUTICAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-05-11 EP disclosed