SCHEMBL11690992

SCHEMBL11690992

Cc1c([N+](=O)[O-])cc(Cl)cc1S(=O)(=O)Cl

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF18A Q8NI77 1/20 0.42
CYP1A2 P05177 1/20 0.40
VCAM1 P19320 5/20 0.38
TSHR P16473 3/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
DHODH Q02127 1/20 0.37
CCR6 P51684 1/20 0.37
CCR2 P41597 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
SCHEMBL7374445 0.82 KIF18A (0.44) KIF18AVCAM1TSHRMAPK1ALDH1A1
SCHEMBL3612247 0.81 TDP1 (0.54) CYP1A2VCAM1TSHRMAPK1ALDH1A1
SCHEMBL11045768 0.79 TRPV4 (0.44) TSHRALDH1A1
SCHEMBL12263626 0.79 TRPV4 (0.41) KIF18AVCAM1TSHRMAPK1ALDH1A1
SCHEMBL11333391 0.77 TSHR (0.39) CYP1A2VCAM1TSHRALDH1A1CRHBP
SCHEMBL3814710 0.76 KIF18A (0.39) KIF18ACYP1A2VCAM1TSHRMAPK1
SCHEMBL3864393 0.76 TSHR (0.54) CYP1A2VCAM1TSHRMAPK1ALDH1A1
SCHEMBL18829958 0.76 CYP1A2 (0.55) CYP1A2VCAM1TSHRMAPK1ALDH1A1
SCHEMBL2062571 0.75 MAPK1 (0.58) KIF18AVCAM1TSHRMAPK1ALDH1A1
SCHEMBL1052777 0.75 KIF18A (0.64) KIF18AVCAM1TSHRMAPK1ALDH1A1

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
US-4008208-A Compositions having inhibited ability to promote platelet aggregation or fibrin clot formation THE UPJOHN COMPANY (US) 1977-02-15 US disclosed
US-3975371-A Aromatic azo sulfonylnitrene compounds THE UPJOHN COMPANY (US) 1976-08-17 US disclosed
US-3954583-A Photochemical process THE UPJOHN COMPANY (US) 1976-05-04 US disclosed