SCHEMBL7797844

SCHEMBL7797844

c1ccc(CNC(Cc2ccccc2)C2CC(Cc3ccccc3)=NO2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.39
SORT1 Q99523 1/20 0.35
TAAR1 Q96RJ0 2/20 0.31
SLC18A2 Q05940 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7796457 0.93 SMN1; SMN2 (0.39) SIGMAR1SORT1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL7799006 0.90 LTA4H (0.42) SIGMAR1TDP1L3MBTL1
SCHEMBL7799070 0.88 SIGMAR1 (0.41) SIGMAR1SORT1TAAR1SLC18A2
SCHEMBL7796639 0.88 PTPRF (0.40) KDM4EMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL7799021 0.86 SORT1 (0.40) SIGMAR1SORT1TAAR1SLC18A2ALDH1A1
SCHEMBL7800194 0.86 SIGMAR1 (0.43) SIGMAR1SORT1TAAR1SLC18A2
SCHEMBL7796593 0.85 SORT1 (0.36) SIGMAR1SORT1TAAR1SLC18A2CYP3A4
SCHEMBL7797833 0.83 ANPEP (0.45) MAPTALDH1A1L3MBTL1
SCHEMBL7796591 0.83 SIGMAR1 (0.36) SIGMAR1SORT1TAAR1SLC18A2ALDH1A1
SCHEMBL8178973 0.82 EPHX1 (0.43) SORT1TAAR1RAB9A

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