SCHEMBL11533149

SCHEMBL11533149

O=S(=O)(CCCN1CCOCC1)c1ccc(Br)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.60
KMT2A Q03164 4/20 0.60
MEN1 O00255 1/20 0.60
MAPT P10636 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ALDH1A1 P00352 4/20 0.55
MAPK1 P28482 1/20 0.55
TSHR P16473 3/20 0.51
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
LMNA P02545 1/20 0.49
MPI P34949 1/20 0.49
IDO1 P14902 1/20 0.47

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
SCHEMBL3517085 0.91 KMT2A (0.72) EPHX2KMT2AMEN1MAPTNPSR1
SCHEMBL2494859 0.86 SIGMAR1 (0.57) EPHX2KMT2AMEN1ALDH1A1TSHR
SCHEMBL11460203 0.85 EPHX2 (0.64) EPHX2KMT2AMEN1MAPTNPSR1
SCHEMBL11532514 0.85 EPHX2 (0.60) EPHX2KMT2AMEN1MAPTNPSR1
SCHEMBL11530025 0.85 KMT2A (0.82) EPHX2KMT2AMEN1MAPTNPSR1
Hydrochloric Acid SCHEMBL11458330 0.84 EPHX2 (0.62) EPHX2KMT2AMEN1MAPTNPSR1
SCHEMBL11530415 0.82 NPSR1 (0.58) EPHX2KMT2AMEN1MAPTNPSR1
SCHEMBL11569125 0.80 MEN1 (0.57) EPHX2KMT2AMEN1MAPTNPSR1
SCHEMBL6035036 0.79 KMT2A (0.76) KMT2ANPSR1ALDH1A1TSHRKDM4E
Succinic Acid SCHEMBL11462357 0.79 EPHX2 (0.63) EPHX2KMT2AMEN1MAPTNPSR1

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-4155907-A Method for inhibiting ADP-induced platelet aggregation using phenylthioalkylamines THE DOW CHEMICAL COMPANY (US) 1979-05-22 US claimed
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