SCHEMBL9808947

SCHEMBL9808947

Cc1ccc([S+]([O-])c2ccc(C)cc2-c2ccc(Cl)c([N+](=O)[O-])c2)c(-c2ccc(Cl)c([N+](=O)[O-])c2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.45
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
VCAM1 P19320 6/20 0.40
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL10452553 0.86 DHFR (0.47) DHFRTSHRMAPTALDH1A1MEN1
SCHEMBL9808906 0.84 TSHR (0.60) TSHRCYP3A4MAPTALDH1A1MEN1
SCHEMBL10509379 0.84 DHFR (0.45) DHFRMAPTALDH1A1MEN1KMT2A
SCHEMBL10451414 0.83 DHFR (0.43) DHFRMAPTALDH1A1MEN1KMT2A
SCHEMBL9808938 0.83 ALDH1A1 (0.50) DHFRCYP3A4MAPTALDH1A1MEN1
SCHEMBL1901253 0.81 VCAM1 (0.53) DHFRTSHRCYP3A4MAPTALDH1A1
SCHEMBL9808925 0.77 ALKBH3 (0.36) TSHRCYP3A4ALDH1A1MEN1KMT2A
SCHEMBL84100 0.77 TSHR (0.67) TSHRCYP3A4MAPTALDH1A1MEN1
SCHEMBL30753177 0.77 TSHR (0.67) TSHRCYP3A4MAPTALDH1A1MEN1
Ammonia Solution, Strong SCHEMBL28193869 0.76 TSHR (0.64) TSHRCYP3A4MAPTALDH1A1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4985463-A Aminodiaryl sulfoxide derivatives, process for their preparation and pharmaceutical and pesticidal compositions containing them RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1991-01-15 US disclosed
US-4956007-A Nitraminodiaryl sulfoxide derivatives, process for their preparation and pharmaceutical and pesticidal compositions containing them RICHTER GEDEON VEGYESZETI GYOR RT. (HU) 1990-09-11 US disclosed
US-4831194-A Process for the preparation of nitrodiaryl sulfoxides RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1989-05-16 US disclosed
US-4710323-A Nitrodiaryl sulfoxide derivatives, process for their preparation and pharmaceutical and pesticidal compositions containing them as active ingredient RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1987-12-01 US disclosed