SCHEMBL9602359

SCHEMBL9602359

O=C(O)CCO/N=C/c1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.64
TBXAS1 P24557 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
FAAH O00519 11/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
JUN P05412 1/20 0.46
MAPT P10636 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
LMNA P02545 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
SCHEMBL9602373 1.00 TAAR1 (0.64) TAAR1TBXAS1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL9601562 0.92 TAAR1 (0.61) TAAR1TBXAS1FAAH
SCHEMBL9601551 0.92 TAAR1 (0.61) TAAR1TBXAS1FAAH
SCHEMBL9601217 0.91 TAAR1 (0.60) TAAR1TBXAS1FAAH
SCHEMBL9601207 0.91 TAAR1 (0.60) TAAR1TBXAS1FAAH
SCHEMBL8305934 0.82 TAAR1 (0.67) TAAR1SMN1; SMN2ALDH1A1FAAHKDM4E
SCHEMBL8305938 0.82 TAAR1 (0.67) TAAR1SMN1; SMN2ALDH1A1FAAHKDM4E
SCHEMBL2635932 0.75 TBXAS1 (0.58) TBXAS1SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL2635935 0.75 TBXAS1 (0.58) TBXAS1SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL9498067 0.75 TAAR1 (0.61) TAAR1SMN1; SMN2ALDH1A1FAAHNPC1

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
EP-0221601-B1 [[[(3-Pyridinyl)methylen]amino]oxy]alkanoic acids and esters JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-10 EP disclosed
US-5180832-A Chemical intermediate for thromboxane A2 inhibitor JANSSEN PHARMACEUTICA N.V. (BE) 1993-01-19 US disclosed
US-4963573-A INHIBIT BIOSYNTHESIS OF THROMBOXANE A2 JANSSEN PHARMACEUTICA N.V. (BE) 1990-10-16 US disclosed
US-4746671-A THROMBOXANE SYNTHETASE INHIBITION JANSSEN PHARMACEUTICA N.V. (BE) 1988-05-24 US disclosed
EP-0221601-A1 [[[(3-Pyridinyl)methylen]amino]oxy]alkanoic acids and esters JANSSEN PHARMACEUTICA N.V. (BE) 1987-05-13 EP disclosed