SCHEMBL9508904

SCHEMBL9508904

O=C(Cl)c1cc2c(cc1Cl)Oc1cc(Cl)c(C(=O)Cl)cc1S2

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.38
FLT1 P17948 1/20 0.38
MAOB P27338 1/20 0.33
KDM4E B2RXH2 1/20 0.30
MAPT P10636 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
SCHEMBL9508195 0.85 AHR (0.38) AHRFLT1KDM4EMAPT
SCHEMBL9511400 0.82 TSHR (0.34) MAOBKDM4EMAPT
SCHEMBL9508877 0.80 RAB9A (0.34) AHRFLT1KDM4EMAPT
SCHEMBL9511385 0.75 AHR (0.60) AHRFLT1
SCHEMBL9479377 0.72 SMN1; SMN2 (0.35)
SCHEMBL101268 0.72 TSHR (0.42) MAOBKDM4EMAPT
SCHEMBL9812995 0.70 TSHR (0.41) MAOBKDM4EMAPT
SCHEMBL5860599 0.69 AHR (0.46) AHRFLT1
SCHEMBL10997019 0.69 KMT2A (0.42) MAOBKDM4EMAPT
SCHEMBL10652247 0.68 AHR (0.44) AHRFLT1MAPT

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