SCHEMBL9762907

SCHEMBL9762907

COc1ccc(Cl)cc1NC(C)S(=O)(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
ALDH1A1 P00352 7/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
WDR5 P61964 1/20 0.49
NPSR1 Q6W5P4 3/20 0.47
MAPK1 P28482 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.47
TSHR P16473 1/20 0.47
GAA P10253 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL10800227 0.82 KMT2A (0.52) KMT2AMEN1ALDH1A1TP53MAPT
SCHEMBL10795119 0.81 MCL1 (0.46) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL9761988 0.80 LMNA (0.46) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL12368471 0.79 LMNA (0.55) KMT2AMEN1ALDH1A1TP53MAPT
SCHEMBL10800203 0.78 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1MAPTLMNA
Sulfuric Acid SCHEMBL20984443 0.77 KMT2A (0.56) KMT2AMEN1ALDH1A1TP53MAPT
SCHEMBL9762861 0.73 TDP1 (0.48) KMT2AMEN1ALDH1A1MAPTNPSR1
SCHEMBL10794994 0.73 HPGD (0.50) KMT2AMEN1ALDH1A1TP53MAPT
SCHEMBL13390934 0.73 KMT2A (0.68) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL10798749 0.72 MEN1 (0.55) KMT2AMEN1ALDH1A1TP53LMNA

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-5003052-A Monoazo fiber reactive dye for cellulose, polyamides, wool, silk, polyurethanes and leather CIBA-GEIGY CORPORATION (US) 1991-03-26 US disclosed
US-4652634-A Water-soluble monoazo compounds containing a N-(sulfoalkyl)-aniline coupling component and a fiber-reactive group of the vinylsulfonyl series in the phenyl or benzothiazole diazo component, suitable as fiber-reactive dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-24 US disclosed
US-4430259-A Water-soluble disazo compounds suitable as fiber-reactive dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1984-02-07 US disclosed
EP-0051808-A2 Water-soluble monoazo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1982-05-19 EP disclosed