SCHEMBL11535141

SCHEMBL11535141

O=S(=O)(CCN1CCOCC1)c1ccc(F)cc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
EPHX2 P34913 2/20 0.50
ACHE P22303 1/20 0.50
ATM Q13315 1/20 0.49
MAPK1 P28482 1/20 0.47
LMNA P02545 1/20 0.47
PIK3CA P42336 1/20 0.46
MTOR P42345 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL11532453 0.88 KMT2A (0.58) MEN1KMT2APOLBMAPTNPSR1
SCHEMBL3517085 0.84 KMT2A (0.72) MEN1KMT2APOLBMAPTNPSR1
SCHEMBL11531653 0.84 MEN1 (0.72) MEN1KMT2APOLBEPHX2MAPK1
SCHEMBL1939359 0.84 KMT2A (0.72) MEN1KMT2AMAPTNPSR1EPHX2
SCHEMBL2920100 0.84 MEN1 (0.72) MEN1KMT2APOLBMAPTNPSR1
SCHEMBL5261643 0.84 KMT2A (0.72) MEN1KMT2APOLBMAPTNPSR1
Hydrochloric Acid SCHEMBL11529235 0.83 KMT2A (0.97) MEN1KMT2APOLBMAPTNPSR1
SCHEMBL1448096 0.81 KMT2A (0.72) MEN1KMT2APOLBMAPTNPSR1
SCHEMBL11531177 0.81 KMT2A (0.67) MEN1KMT2APOLBMAPTNPSR1
SCHEMBL12015818 0.81 KMT2A (0.67) MEN1KMT2AMAPTNPSR1EPHX2

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 1 patent. 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