SCHEMBL10797153

SCHEMBL10797153

O=S(=O)(O)CC(O)CNc1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
DHODH Q02127 1/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 1/20 0.36
IDO1 P14902 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
CXCL8 P10145 1/20 0.36
KCNQ2 O43526 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35

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
SCHEMBL10797298 0.82 MEN1 (0.44) LMNASMN1; SMN2MEN1KMT2AGAA
SCHEMBL7132181 0.80 ALDH1A1 (0.39) LMNAMEN1KMT2AGAAMAPT
SCHEMBL10799202 0.80 LMNA (0.40) LMNASMN1; SMN2KMT2ACYP1A2CYP2C19
SCHEMBL10907187 0.79 BACE1 (0.57) CYP1A2CYP2C19CYP3A4CYP2D6GAA
SCHEMBL7902799 0.77 MAPT (0.53) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL11368560 0.77 LMNA (0.56) LMNASMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL9174930 0.77 LMNA (0.60) LMNASMN1; SMN2MEN1KMT2ACYP2D6
SCHEMBL1144925 0.76 LMNA (0.39) LMNASMN1; SMN2CYP1A2CYP2C19CYP3A4
SCHEMBL1144923 0.75 LMNA (0.39) LMNASMN1; SMN2CYP1A2CYP2C19CYP3A4
SCHEMBL9762950 0.74 GAA (0.43) LMNASMN1; SMN2MEN1KMT2AGAA

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-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
EP-0051808-B1 WATER-SOLUBLE MONOAZO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1984-07-04 EP 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