SCHEMBL7796639

SCHEMBL7796639

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRF P10586 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN11 Q06124 1/20 0.40
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
BACE1 P56817 2/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 3/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 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
SCHEMBL7797844 0.88 SIGMAR1 (0.39) MAPTSMN1; SMN2ALDH1A1KDM4ERAB9A
SCHEMBL7797819 0.88 CA1 (0.41) PTPRFPTPN2PTPN1PTPN11MEN1
SCHEMBL7796443 0.84 ALDH1A1 (0.40) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL7796457 0.84 SMN1; SMN2 (0.39) BCHEACHEBACE1MEN1KMT2A
SCHEMBL7789564 0.83 NPC1 (0.53) BACE1MEN1KMT2AMAPTLMNA
SCHEMBL7799006 0.81 LTA4H (0.42) MEN1KMT2ALMNACYP1A2HTT
SCHEMBL7797817 0.81 MEN1 (0.41) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL7799070 0.78 SIGMAR1 (0.41)
SCHEMBL7799021 0.76 SORT1 (0.40) SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL7800194 0.76 SIGMAR1 (0.43) BCHEMEN1KMT2APOLB

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