SCHEMBL8657882

SCHEMBL8657882

Clc1ncc(OCc2ccsc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.46
PARP10 Q53GL7 1/20 0.46
PARP3 Q9Y6F1 1/20 0.46
HPGD P15428 1/20 0.42
KIT P10721 1/20 0.41
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
TAAR1 Q96RJ0 1/20 0.36
NPC1 O15118 1/20 0.36
SLC1A3 P43003 2/20 0.36
SLC1A2 P43004 2/20 0.36
SLC1A1 P43005 2/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL25182415 0.77 TAAR1 (0.39) CYP11B1CYP11B2TAAR1NPC1L3MBTL1
SCHEMBL9585819 0.74 PARP15 (0.50) PARP15PARP10PARP3HPGDGABRA1
SCHEMBL30792252 0.74 MAOB (0.56)
SCHEMBL457443 0.74 P4HTM (0.53) L3MBTL1
SCHEMBL8376995 0.73
SCHEMBL30792263 0.71 MAOB (0.53) PARP10NPC1
SCHEMBL8808576 0.71 MAOB (0.56) PARP15PARP10PARP3HPGDTAAR1
SCHEMBL921024 0.71 PARP15 (0.48) PARP15PARP10PARP3HPGDTAAR1
SCHEMBL6299377 0.71 PARP15 (0.48) PARP15PARP10PARP3HPGD
SCHEMBL14163897 0.70 PARP15 (0.50) PARP15PARP10PARP3HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5728706-A ENDOTHELIN ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 1998-03-17 US disclosed
EP-0658548-B1 Benzenesulfonamide derivative and process for preparing thereof TANABE SEIYAKU CO (JP) 1997-11-19 EP disclosed
US-5589478-A ENDOTHELIN ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 1996-12-31 US disclosed
EP-0658548-A1 Benzenesulfonamide derivative and process for preparing thereof TANABE SEIYAKU CO., LTD. (JP) 1995-06-21 EP disclosed