SCHEMBL9511297

SCHEMBL9511297

Cc1c(C#N)c(Cl)cc2c1Sc1cc(Cl)c(C#N)cc1S2

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.31
TRPV4 Q9HBA0 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
SCHEMBL9511249 0.80 AR (0.34)
SCHEMBL9510064 0.80 TRPV4 (0.43) PGK1TRPV4
SCHEMBL9511227 0.65 USP8 (0.33) TRPV4
SCHEMBL9511376 0.65 AHR (0.39) PGK1TRPV4
SCHEMBL145418 0.63 TRPV4 (0.54) PGK1TRPV4
SCHEMBL18179223 0.62 TRPV4 (0.45) PGK1TRPV4
SCHEMBL11533041 0.61 NOX1 (0.37)
SCHEMBL10945357 0.61 TRPV4 (0.52) PGK1TRPV4
SCHEMBL28408336 0.61 TRPV4 (0.43) PGK1TRPV4
SCHEMBL11593963 0.60 NOX1 (0.36)

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
EP-0399293-B1 PROCESS FOR PREPARING 2-CHLORO-4-NITRO-ALKYLBENZENE BAYER AG (DE) 1993-09-01 EP disclosed
US-5095157-A Friedel-crafts catalyst BAYER AKTIENGESELLSCHAFT (DE) 1992-03-10 US disclosed
EP-0399293-A1 Process for preparing 2-chloro-4-nitro-alkylbenzene BAYER AG (DE) 1990-11-28 EP disclosed