SCHEMBL11213147

SCHEMBL11213147

CCOc1ccc2[nH]c(=O)sc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.68
PDE3A Q14432 4/20 0.68
PSMB8 P28062 1/20 0.67
HSD17B10 Q99714 4/20 0.58
MAPT P10636 2/20 0.58
ESR2 Q92731 1/20 0.58
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 5/20 0.51
MEN1 O00255 3/20 0.51
KDM4E B2RXH2 3/20 0.51
TSHR P16473 2/20 0.51
HPGD P15428 2/20 0.50
LMNA P02545 3/20 0.48
PKM P14618 2/20 0.48
HTT P42858 2/20 0.48
MAPK1 P28482 1/20 0.48
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43

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
SCHEMBL1848088 0.81 PDE3B (1.00) PDE3BPDE3APSMB8HSD17B10MAPT
SCHEMBL1856589 0.81 PDE3B (0.59) PDE3BPDE3APSMB8HSD17B10MAPT
SCHEMBL28132827 0.80 PSMB8 (1.00) PDE3BPDE3APSMB8HSD17B10MAPT
SCHEMBL28195083 0.75 PDE3B (0.65) PDE3BPDE3APSMB8MAPTALDH1A1
SCHEMBL1286050 0.74 PSMB8 (0.41) PDE3BPDE3APSMB8HSD17B10MAPT
SCHEMBL9204486 0.74 MAPT (0.59) PDE3BPDE3AMAPTALDH1A1PKM
SCHEMBL3232045 0.74 HSD17B10 (0.80) PDE3BPDE3APSMB8HSD17B10MAPT
SCHEMBL21676421 0.74 HSD17B10 (1.00) PDE3BPDE3APSMB8HSD17B10MAPT
SCHEMBL11104196 0.73 PDE3B (0.63) PDE3BPDE3AMAPTKMT2AHTT
SCHEMBL7767367 0.73 HCRTR1 (0.65) PDE3BPDE3AHSD17B10MAPTESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0022213-A1 Medicaments containing benzothiazole-2(3H)-one derivatives Dr. Karl Thomae GmbH (DE) 1981-01-14 EP claimed
CN-115246795-B Isoxazoline compound containing ether structure at 4-phenyl para-position, preparation method thereof and application thereof as insecticidal and bactericidal agent 瑞普(天津)生物药业有限公司 2024-01-02 CN disclosed
CN-115246795-A Isoxazoline compound with 4-phenyl para-position containing ether structure, preparation thereof and application thereof as insecticide and bactericide 瑞普(天津)生物药业有限公司 2022-10-28 CN disclosed
US-4328235-A SUPPRESSION OF PAIN BOEHRINGER INGELHEIM GMBH (DE) 1982-05-04 US disclosed
EP-0022213-A1 Medicaments containing benzothiazole-2(3H)-one derivatives Dr. Karl Thomae GmbH (DE) 1981-01-14 EP disclosed