SCHEMBL9511272

SCHEMBL9511272

Cc1c(Cl)c2c(c(Cl)c1C(=O)Cl)Sc1c(Cl)c(C)c(C(=O)Cl)c(Cl)c1S2

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL11858927 0.77 ALDH1A1 (0.37) ALDH1A1
SCHEMBL11547534 0.75 ALDH1A1 (0.36) ALDH1A1
SCHEMBL11590927 0.72
SCHEMBL28274051 0.70 ALDH1A1 (0.39) ALDH1A1
SCHEMBL9698033 0.69 DPP4 (0.36) ALDH1A1
SCHEMBL4163347 0.67 ALDH1A1 (0.39) ALDH1A1
SCHEMBL2154609 0.67 ALDH1A1 (0.39) ALDH1A1
SCHEMBL9511331 0.67 AHR (0.33) ALDH1A1
SCHEMBL9511320 0.65 CES2 (0.34)
SCHEMBL816707 0.65 ALDH1A1 (0.38) ALDH1A1

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
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