SCHEMBL10797282

SCHEMBL10797282

O=S(=O)(O)CCNc1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
DHODH Q02127 1/20 0.41
EBP Q15125 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MAPT P10636 1/20 0.40
IDO1 P14902 1/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
CXCL8 P10145 1/20 0.39

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
SCHEMBL12226555 0.90 KMT2A (0.44) KMT2AMEN1CYP1A2CYP2C19CYP3A4
SCHEMBL8970364 0.88 KMT2A (0.42) KMT2AMEN1CYP1A2CYP2C19CYP3A4
SCHEMBL8968894 0.88 KMT2A (0.42) KMT2AMEN1CYP1A2CYP2C19CYP3A4
SCHEMBL11038713 0.86 MEN1 (0.49) KMT2AMEN1DHODHMAPTHPGD
SCHEMBL10795123 0.79 MEN1 (0.49) KMT2AMEN1MAPTIDO1HTT
SCHEMBL10795158 0.79 MAPT (0.62) KMT2AMEN1MAPTHPGDHTT
SCHEMBL7883074 0.78 SMN1; SMN2 (0.40) KMT2AMEN1CYP1A2CYP2C19CYP3A4
SCHEMBL9421891 0.78 MAPT (0.52) KMT2AMEN1CYP1A2CYP2C19EBP
Tetrabuthylammonium SCHEMBL8970333 0.77 L3MBTL1 (0.44) KMT2AMEN1CYP1A2CYP2C19CYP3A4
Tetrabuthylammonium SCHEMBL8968975 0.77 L3MBTL1 (0.44) KMT2AMEN1CYP1A2CYP2C19CYP3A4

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