SCHEMBL9510657

SCHEMBL9510657

C1=Cc2c(ccc3ccccc23)SN=C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP2A6 P11509 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPRT1 P00492 1/20 0.34
HIF1A Q16665 1/20 0.32
CYP1B1 Q16678 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
P2RX4 Q99571 1/20 0.31
CYP3A4 P08684 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
SCHEMBL3065330 0.69 ALDH1A1 (0.41) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL29901519 0.66 TRPA1 (0.31)
SCHEMBL19983 0.66 TRPA1 (0.31)
SCHEMBL3063701 0.66 ALDH1A1 (0.41) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL29014765 0.66 CA12 (0.45) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL31238829 0.66 ALDH1A1 (0.37) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL433359 0.64 TRPA1 (0.31)
Hydrochloric Acid SCHEMBL7403491 0.64 TRPA1 (0.31)
SCHEMBL3084502 0.64 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL3073175 0.64 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0302379-B1 NAPHTHOTHIAZEPINE DERIVATIVES AND A PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 1993-09-29 EP claimed
CN-1031082-A Aphthothiazoles product derivative and its preparation method TANABE SEIYAKU CO (JP) 1989-02-15 CN claimed
EP-0302379-A1 Naphthothiazepine derivatives and a process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1989-02-08 EP claimed
EP-0302379-B1 NAPHTHOTHIAZEPINE DERIVATIVES AND A PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 1993-09-29 EP disclosed
CN-1017151-B PROCESSES FOR PREPARING NAPHTHOTHIAZEPINE DERIVATIVE TANABE SEIYAKU CO (JP) 1992-06-24 CN disclosed
EP-0302379-A1 Naphthothiazepine derivatives and a process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1989-02-08 EP disclosed
EP-0302379-A1 Naphthothiazepine derivatives and a process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1989-02-08 EP disclosed