SCHEMBL11468956

SCHEMBL11468956

CC(=O)Nc1ccc(S(=O)(=O)CCCN2CCOCC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.77
L3MBTL1 Q9Y468 1/20 0.61
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
CA9 Q16790 3/20 0.59
CYP3A4 P08684 1/20 0.58
HTT P42858 1/20 0.58
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 2/20 0.56
KMT2A Q03164 3/20 0.56
POLB P06746 4/20 0.55
MAPT P10636 1/20 0.53
MEN1 O00255 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL11468753 0.92 EPHX2 (0.65) EPHX2L3MBTL1CA1CA2CA9
SCHEMBL9885410 0.84 POLB (0.75) EPHX2L3MBTL1CYP3A4HTTKMT2A
SCHEMBL10846755 0.81 EPHX2 (0.69) EPHX2L3MBTL1CA1CA2CA9
SCHEMBL11460203 0.81 EPHX2 (0.64) EPHX2CA1CA2CA9KMT2A
SCHEMBL11532514 0.81 EPHX2 (0.60) EPHX2CYP3A4ALDH1A1KDM4EKMT2A
Hydrochloric Acid SCHEMBL11458330 0.80 EPHX2 (0.62) EPHX2CA1CA2CA9KMT2A
SCHEMBL11533149 0.79 EPHX2 (0.60) EPHX2ALDH1A1KDM4EKMT2AMAPT
SCHEMBL11530025 0.78 KMT2A (0.82) EPHX2HTTALDH1A1KMT2APOLB
SCHEMBL11530415 0.78 NPSR1 (0.58) EPHX2ALDH1A1KDM4EKMT2APOLB
SCHEMBL28069120 0.78 KDM4E (0.59) EPHX2L3MBTL1ALDH1A1KDM4EKMT2A

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-4183927-A Substituted phenylthioalkylamines and compositions thereof THE DOW CHEMICAL COMPANY (US) 1980-01-15 US disclosed
US-4155907-A Method for inhibiting ADP-induced platelet aggregation using phenylthioalkylamines THE DOW CHEMICAL COMPANY (US) 1979-05-22 US disclosed
US-4141983-A Method for inhibiting ADP-induced platelet aggregation using phenylthioalkylamines THE DOW CHEMICAL COMPANY (US) 1979-02-27 US disclosed
US-4134996-A METHOD FOR INHIBITING ADP-INDUCED PLATELET AGGREGATION USING PHENYLTHIOALKYLAMINES THE DOW CHEMICAL COMPANY (US) 1979-01-16 US disclosed