SCHEMBL10569596

SCHEMBL10569596

O=S(=O)(CCO)n1nnc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.55
KMT2A Q03164 2/20 0.50
MAPK1 P28482 2/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.48
ALDH1A1 P00352 1/20 0.47
TSHR P16473 3/20 0.46
HSD17B10 Q99714 2/20 0.46
POLB P06746 2/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
EGLN3 Q9H6Z9 1/20 0.42
CRHBP P24387 1/20 0.41
RECQL P46063 1/20 0.41
CRHR2 Q13324 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL4736616 0.80 SLC9A1 (0.54) SLC9A1KMT2AMAPK1CYP2C19MEN1
SCHEMBL3921769 0.80 SLC9A1 (0.58) SLC9A1KMT2AMAPK1CYP2C19MEN1
SCHEMBL3079415 0.78 SLC9A1 (0.64) SLC9A1KMT2AMAPK1CYP2C19MEN1
SCHEMBL16974408 0.77 KMT2A (0.70) SLC9A1KMT2AMAPK1CYP2C19MEN1
SCHEMBL4735146 0.76 SLC9A1 (0.54) SLC9A1KMT2AMAPK1CYP2C19MEN1
SCHEMBL10608005 0.76 SLC9A1 (0.62) SLC9A1KMT2AMAPK1CYP2C19MEN1
SCHEMBL9642423 0.76 SLC9A1 (0.62) SLC9A1KMT2AMAPK1CYP2C19MEN1
SCHEMBL439391 0.74 SLC9A1 (0.64) SLC9A1KMT2AMAPK1CYP2C19MEN1
SCHEMBL29479871 0.74 SLC9A1 (0.64) SLC9A1KMT2AMAPK1CYP2C19MEN1
SCHEMBL18062179 0.74 SLC9A1 (0.64) SLC9A1KMT2AMAPK1CYP2C19MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4851542-A N1 -substituted 1H-benzytriazole hydroxyethyl sulfone compounds, a process for their preparation and their use for the preparation of dyestudds HOECHST AKTIENGESELLSCHAFT (DE) 1989-07-25 US disclosed
EP-0256331-A1 N1-substituted 1H-benzotriazole-hydroxyethyl-sulfone compounds, process for their preparation and their use in the preparation of dyes HOECHST AKTIENGESELLSCHAFT (DE) 1988-02-24 EP disclosed