SCHEMBL9511220

SCHEMBL9511220

N#Cc1cc2c(cc1Br)Sc1ccc(Br)cc1S2

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.35
MAOA P21397 2/20 0.35
SLC1A5 Q15758 1/20 0.33
CHEK1 O14757 1/20 0.31
SNCA P37840 1/20 0.30

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
SCHEMBL9507748 0.80 MAPK1 (0.40) SNCA
SCHEMBL205436 0.78 SNCA (0.40) SNCA
SCHEMBL203042 0.78 SNCA (0.40) SNCA
SCHEMBL31121327 0.78 SNCA (0.40) SNCA
SCHEMBL29561410 0.78 SNCA (0.40) SNCA
SCHEMBL1343188 0.72 MAOB (0.44) MAOBMAOASLC1A5CHEK1
SCHEMBL14247841 0.72 CYP2A6 (0.42) MAOASNCA
SCHEMBL1343170 0.72 MAOB (0.48) MAOBMAOASLC1A5CHEK1
SCHEMBL23830067 0.71 MEN1 (0.40) MAOBMAOA
SCHEMBL9511227 0.71 USP8 (0.33) MAOBMAOA

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