SCHEMBL9808906

SCHEMBL9808906

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.60
TDP1 Q9NUW8 4/20 0.55
MAPT P10636 4/20 0.55
MEN1 O00255 2/20 0.55
POLB P06746 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP3A4 P08684 5/20 0.44
ALDH1A1 P00352 5/20 0.44
ALOX15 P16050 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
PKM P14618 1/20 0.40
PGR P06401 1/20 0.39
GALR3 O60755 1/20 0.39
THRB P10828 1/20 0.39
LMNA P02545 1/20 0.39
ACHE P22303 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HPRT1 P00492 1/20 0.37
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL9808947 0.84 DHFR (0.45) TSHRMAPTMEN1KMT2ACYP3A4
SCHEMBL10452550 0.84 TDP1 (0.55) TSHRTDP1MAPTMEN1POLB
SCHEMBL9808937 0.84 MAPT (0.55) TSHRTDP1MAPTMEN1POLB
SCHEMBL9808951 0.84 TDP1 (0.55) TSHRTDP1MAPTMEN1POLB
SCHEMBL9808940 0.83 MAPT (0.51) TSHRTDP1MAPTMEN1POLB
SCHEMBL9808928 0.83 MAPT (0.51) TSHRTDP1MAPTMEN1POLB
SCHEMBL9808893 0.81 TDP1 (0.48) TSHRTDP1MAPTMEN1KMT2A
SCHEMBL5952772 0.81 TDP1 (0.79) TSHRTDP1MAPTMEN1POLB
SCHEMBL98492 0.77 TSHR (1.00) TSHRTDP1MAPTMEN1POLB
Hydrochloric Acid SCHEMBL3172274 0.76 TSHR (0.96) TSHRTDP1MAPTMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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