SCHEMBL7583001

SCHEMBL7583001

[O-][S+](c1ccc(-c2ccc(C3COC(c4ccccc4Cl)=N3)cc2)cc1)C(F)F

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TAAR1 Q96RJ0 5/20 0.40
INPP5D Q92835 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.34

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
SCHEMBL7584899 0.81 NPC1 (0.40) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7583720 0.81 MAPT (0.42) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8415982 0.81 MAPT (0.42) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7585446 0.81 TAAR1 (0.39) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6988543 0.76 TAAR1 (0.51) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6982917 0.71 ALDH1A1 (0.41) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6982915 0.70 ALDH1A1 (0.38) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9627687 0.70 TAAR1 (0.62) ALDH1A1MAPTSMN1; SMN2TAAR1INPP5D
SCHEMBL2783728 0.68 TAAR1 (0.62) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1299088 0.67 MAPT (0.77) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0939755-B1 OXAZOLINE ARTHROPODICIDES PURDUE RESEARCH FOUNDATION (US) 2002-10-09 EP claimed
US-6107319-A PESTICIDE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-08-22 US claimed
EP-0939755-A1 OXAZOLINE ARTHROPODICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-09-08 EP claimed
WO-1997026249-A1 OXAZOLINE ARTHROPODICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-07-24 WO claimed
EP-0939755-B1 OXAZOLINE ARTHROPODICIDES PURDUE RESEARCH FOUNDATION (US) 2002-10-09 EP disclosed
US-6107319-A PESTICIDE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-08-22 US disclosed
EP-0939755-A1 OXAZOLINE ARTHROPODICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-09-08 EP disclosed
WO-1997026249-A1 OXAZOLINE ARTHROPODICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-07-24 WO disclosed