SCHEMBL7980708

SCHEMBL7980708

CNS(=O)(=O)c1cc([C@@H](O)CBr)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 2/20 0.49
F10 P00742 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
KMT2A Q03164 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
CYP3A4 P08684 5/20 0.37
CYP2D6 P10635 5/20 0.37
SLC6A2 P23975 5/20 0.37
SLC6A4 P31645 5/20 0.37
SLC6A3 Q01959 5/20 0.37
KCNH2 Q12809 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MCL1 Q07820 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL7980710 1.00 GSTO1 (0.49) GSTO1F10PRSS1PRSS2PRSS3
SCHEMBL11213161 0.81 CA1 (0.44)
SCHEMBL11596834 0.80 GSTO1 (0.49) GSTO1KMT2ARAB9A
SCHEMBL27545256 0.75 GSTO1 (0.44) GSTO1F10PRSS1PRSS2PRSS3
SCHEMBL7113252 0.74 ADRB3 (0.53)
SCHEMBL7113249 0.74 ADRB3 (0.53)
SCHEMBL7113347 0.74 ADRB3 (0.53)
SCHEMBL7111834 0.74 ACP1 (0.42) KMT2A
SCHEMBL7967267 0.72 GSTO1 (0.53) GSTO1KMT2AKDM4E
SCHEMBL6926529 0.72 HTR1A (0.45) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3

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
US-6172099-B1 CARBAZOLE, DIBENZOFURAN, OR DIBENZOTHIOPHENE DERIVATIVES; DIETETICS, ANTIDIABETIC AGENTS; ANTILIPEMICS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2001-01-09 US disclosed
EP-0997458-A1 NOVEL TRICYCLIC COMPOUNDS HAVING SATURATED RINGS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2000-05-03 EP disclosed