SCHEMBL9508968

SCHEMBL9508968

CC(=O)c1c(Cl)cc2c(c1Cl)Sc1cc(Cl)c(C(C)=O)c(Cl)c1S2

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9508863 0.81 KMT2A (0.33) MEN1CYP3A4HPGDKMT2A
SCHEMBL9511203 0.81 AHR (0.34)
SCHEMBL9510067 0.77 AHR (0.35) MEN1CYP3A4HPGDKMT2A
SCHEMBL12325017 0.73 KMT2A (0.39) MEN1CYP3A4HPGDKMT2A
SCHEMBL9508110 0.69 ABCB11 (0.35) MEN1KMT2A
SCHEMBL9508179 0.68 CDC7 (0.38) MEN1KMT2A
SCHEMBL5726357 0.68 CA1 (0.38) MEN1CYP3A4HPGDKMT2A
SCHEMBL2093961 0.68 KMT2A (0.44) MEN1CYP3A4HPGDKMT2A
SCHEMBL3735504 0.66 DPP4 (0.43) MEN1CYP3A4HPGDKMT2A
SCHEMBL14339400 0.66 KMT2A (0.42) MEN1CYP3A4HPGDKMT2A

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