SCHEMBL7797817

SCHEMBL7797817

O=C(NC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MGLL Q99685 4/20 0.37
FAAH O00519 1/20 0.37

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
SCHEMBL7799039 0.90 BCHE (0.37) NPC1RAB9A
SCHEMBL7796487 0.87 PPARG (0.37) CYP2C9CYP2C19
SCHEMBL7800188 0.87 GAA (0.42) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7789564 0.86 NPC1 (0.53) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL7800078 0.84 PPARG (0.41) MEN1KMT2AMAPTFAAH
SCHEMBL7797819 0.83 CA1 (0.41) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL8178968 0.81 NPC1 (0.38) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7797836 0.81 NPC1 (0.38) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7796639 0.81 PTPRF (0.40) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL8182503 0.80 TGM2 (0.47) SMN1; SMN2LMNACYP2C9CYP2C19

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