SCHEMBL10696095

SCHEMBL10696095

Nc1cc(Cl)c(S(=O)(=O)NC2CCCCC2)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 2/20 0.48
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 2/20 0.46
GAA P10253 1/20 0.46
BRD4 O60885 1/20 0.45
KDM4E B2RXH2 1/20 0.45
RECQL P46063 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
MAPT P10636 1/20 0.44
CA3 P07451 2/20 0.44

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
SCHEMBL11688484 0.87 ALDH1A1 (0.51) ALDH1A1L3MBTL1SMN1; SMN2KMT2AHPGD
Hydrochloric Acid SCHEMBL11505138 0.80 CA1 (0.41) ALDH1A1L3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL9649741 0.78 TP53 (0.65) ALDH1A1SMN1; SMN2LMNAHPGDTP53
SCHEMBL2875807 0.75 ALDH1A1 (0.61) ALDH1A1L3MBTL1SMN1; SMN2KMT2ALMNA
SCHEMBL5504038 0.75 ALDH1A1 (0.61) ALDH1A1L3MBTL1SMN1; SMN2KMT2ALMNA
SCHEMBL11228520 0.73 ALDH1A1 (0.64) ALDH1A1L3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL28820135 0.73 ALDH1A1 (0.97) ALDH1A1L3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL3026289 0.73 SMN1; SMN2 (0.60) ALDH1A1L3MBTL1SMN1; SMN2KMT2ALMNA
SCHEMBL2978225 0.73 ALDH1A1 (0.42) ALDH1A1L3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL2978228 0.73 ALDH1A1 (0.42) ALDH1A1L3MBTL1SMN1; SMN2KMT2AMEN1

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-4754024-A Fibre-reactive azo dyes containing vinylsulfonyl or analogous groups CIBA-GEIGY CORPORATION 1988-06-28 US disclosed
EP-0112285-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1987-03-18 EP disclosed
US-4026931-A AZO DYES, FIBER-REACTIVE; INDOLE OR 5-AMINO-PYRAZOLE COUPLING COMPONENT BAYER AKTIENGESELLSCHAFT (DT) 1977-05-31 US disclosed