SCHEMBL7584899

SCHEMBL7584899

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TAAR1 Q96RJ0 2/20 0.39
INPP5D Q92835 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C1 Q04828 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL7583001 0.81 ALDH1A1 (0.41) NPC1MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL7582531 0.81 NPC1 (0.39) NPC1MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL7583720 0.80 MAPT (0.42) NPC1MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL8415982 0.80 MAPT (0.42) NPC1MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL6988543 0.75 TAAR1 (0.51) NPC1MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL6982915 0.71 ALDH1A1 (0.38) NPC1MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL6982917 0.70 ALDH1A1 (0.41) NPC1MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL9627687 0.69 TAAR1 (0.62) MAPTALDH1A1SMN1; SMN2TAAR1INPP5D
SCHEMBL8602601 0.67 NPC1 (0.37) NPC1MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL2783728 0.67 TAAR1 (0.62) NPC1MAPTALDH1A1RAB9ASMN1; 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 6 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-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