SCHEMBL7797819

SCHEMBL7797819

O=[N+]([O-])c1ccc(NC(Cc2ccccc2)C2CC(Cc3ccccc3)=NO2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
PGR P06401 1/20 0.40
MAPT P10636 6/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
PTPRF P10586 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN11 Q06124 1/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL7796639 0.88 PTPRF (0.40) MAPTLMNASMN1; SMN2NPC1TP53
SCHEMBL7796593 0.86 SORT1 (0.36) CA1SMN1; SMN2RAB9AL3MBTL1ALDH1A1
SCHEMBL7796443 0.86 ALDH1A1 (0.40) CA1MAPTSMN1; SMN2NPC1TP53
SCHEMBL7789564 0.85 NPC1 (0.53) MAPTLMNASMN1; SMN2NPC1TP53
SCHEMBL7799016 0.83 NPBWR1 (0.36) MAPTLMNASMN1; SMN2HTTALDH1A1
SCHEMBL7797817 0.83 MEN1 (0.41) MAPTLMNASMN1; SMN2NPC1TP53
SCHEMBL7799004 0.81 FPR2 (0.41) MAPTLMNASMN1; SMN2RAB9AL3MBTL1
SCHEMBL7799021 0.78 SORT1 (0.40) SMN1; SMN2NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL8181528 0.76 EPHX1 (0.43) NPC1RAB9AMEN1KMT2A
SCHEMBL8178973 0.76 EPHX1 (0.43) NPC1RAB9AMEN1KMT2A

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-0748801-B1 2-ISOXAZOLINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING RELATED DERIVATIVES FROM THE SAME DAICEL CHEM (JP) 2001-12-19 EP disclosed
US-6018069-A 2-isoxazoline derivative and process for producing the same and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-01-25 US disclosed
US-5994558-A 2-isoxazoline derivative and process for producing the same; and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-30 US disclosed
US-5962692-A 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-05 US disclosed
US-5750717-A 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-12 US disclosed
EP-0748801-A1 2-ISOXAZOLINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING RELATED DERIVATIVES FROM THE SAME DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-18 EP disclosed