SCHEMBL11595993

SCHEMBL11595993

Cc1cc(S(=O)(=O)O)c(N)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.49
▸ NSD2 O96028 1/20 0.49
▸ PLCG1 P19174 1/20 0.49
▸ DNMT1 P26358 1/20 0.49
▸ CASP6 P55212 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ TSHR P16473 5/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ RECQL P46063 1/20 0.46
▸ CA9 Q16790 3/20 0.41
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ GPR35 Q9HC97 3/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL1708533 0.93 GAA (0.49) GAANSD2PLCG1DNMT1CASP6
SCHEMBL2360457 0.93 GAA (0.49) GAANSD2PLCG1DNMT1CASP6
SCHEMBL4806160 0.87 NSD2 (0.49) GAANSD2PLCG1DNMT1CASP6
SCHEMBL11521960 0.84 TSHR (0.42) GAANSD2PLCG1DNMT1CASP6
SCHEMBL10350683 0.84 NSD2 (0.53) GAANSD2PLCG1DNMT1CASP6
SCHEMBL11432077 0.84 TSHR (0.42) GAANSD2PLCG1DNMT1CASP6
SCHEMBL11520955 0.84 TSHR (0.42) GAANSD2PLCG1DNMT1CASP6
SCHEMBL11521070 0.83 TSHR (0.41) GAANSD2PLCG1DNMT1CASP6
SCHEMBL596924 0.81 L3MBTL1 (0.53) GAANSD2PLCG1DNMT1CASP6
SCHEMBL10351830 0.81 NSD2 (0.53) GAANSD2PLCG1DNMT1CASP6

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-4118232-A Photographic material containing sulphonic acid group containing disazo dyestuffs CIBA-GEIGY AG (CH) 1978-10-03 — — US disclosed
US-4051123-A Sulfonic-acid-group containing disazo dyestuffs CIBA-GEIGY AG (CH) 1977-09-27 — — US disclosed
US-4007221-A Manufacture of nuclear-iodinated iodine compounds of aromatic character BASF AKTIENGESELLSCHAFT (DT) 1977-02-08 — — US disclosed
Send feedback