SCHEMBL11468670

SCHEMBL11468670

CC(=O)Oc1ccc(S(=O)(=O)CCN2CCOCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
EPHX2 P34913 2/20 0.49
PKM P14618 2/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MMP3 P08254 1/20 0.45
MMP2 P08253 1/20 0.44

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
SCHEMBL11531177 0.84 KMT2A (0.67) MEN1KMT2ANPSR1CA12CA1
SCHEMBL11534293 0.82 MEN1 (0.60) MEN1KMT2AEPHX2NPSR1POLB
SCHEMBL11468753 0.81 EPHX2 (0.65) MEN1KMT2AEPHX2HPGDHTT
SCHEMBL11462358 0.80 EPHX2 (0.58) MEN1KMT2AEPHX2NPSR1CA12
SCHEMBL2920100 0.79 MEN1 (0.72) MEN1KMT2AEPHX2NPSR1CA12
SCHEMBL11531653 0.79 MEN1 (0.72) MEN1KMT2AEPHX2POLBKDM4E
SCHEMBL6689250 0.79 ALDH1A1 (0.70) KMT2ALMNACA12CA1CA2
SCHEMBL11534382 0.77 MEN1 (0.65) MEN1KMT2AEPHX2POLBKDM4E
SCHEMBL5261643 0.76 KMT2A (0.72) MEN1KMT2AEPHX2NPSR1CA12
SCHEMBL1939359 0.76 KMT2A (0.72) MEN1KMT2AEPHX2NPSR1MAPT

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 5 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 claimed
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