SCHEMBL11298592

SCHEMBL11298592

O=c1cc(CS(=O)(=O)O)cc(O)n1-c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 1/20 0.35
KMT2A Q03164 2/20 0.34
MGLL Q99685 1/20 0.34
ERO1A Q96HE7 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MT-CO2 P00403 1/20 0.33
ALOX5 P09917 1/20 0.33
TSHR P16473 1/20 0.33
GRM1 Q13255 1/20 0.33

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
SCHEMBL11311644 0.79 MAPT (0.47) MAPTPOLBKDM4ECYP3A4KMT2A
SCHEMBL9163935 0.70 GPR84 (0.32) MAPT
SCHEMBL496749 0.70 MEN1 (0.48) MAPTKDM4ECYP3A4KMT2AMEN1
SCHEMBL17459255 0.70 KMT2A (0.46) MAPTSMN1; SMN2POLBKDM4EKMT2A
Hydrochloric Acid SCHEMBL28259963 0.69 MEN1 (0.47) MAPTKDM4ECYP3A4KMT2AMEN1
SCHEMBL11316961 0.68 POLB (0.42) LMNAPOLBKDM4ECYP3A4
SCHEMBL11533469 0.67 ALKBH5 (0.52) MAPTSMN1; SMN2LMNAKDM4EKMT2A
SCHEMBL497042 0.66 ACP1 (0.44) TSHR
SCHEMBL11296078 0.66 POLB (0.44) MAPTSMN1; SMN2POLBKDM4ECYP3A4
SCHEMBL29581044 0.63 PNMT (0.54) CYP3A4KMT2A

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
EP-0013936-B1 REACTIVE AZO DYESTUFFS, THEIR PREPARATION AND THEIR USE IN DYEING MATERIALS CONTAINING HYDROXYL GROUPS AND AMIDE GROUPS BAYER AG (DE) 1982-09-22 EP disclosed
US-4299764-A Azo reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1981-11-10 US disclosed
EP-0013936-A1 Reactive azo dyestuffs, their preparation and their use in dyeing materials containing hydroxyl groups and amide groups BAYER AG (DE) 1980-08-06 EP disclosed
US-4092308-A 4-Sulphomethyl substituted hydroxypyridone azo dyestuffs CIBA-GEIGY CORPORATION (US) 1978-05-30 US disclosed