SCHEMBL7796582

SCHEMBL7796582

O=C(NCc1ccncc1)NC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 1/20 0.46
HTT P42858 1/20 0.44
MAPT P10636 3/20 0.42
GAA P10253 1/20 0.42
ANPEP P15144 1/20 0.41
NAMPT P43490 5/20 0.41
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.39
EPHX1 P07099 1/20 0.39

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
SCHEMBL7797833 0.95 ANPEP (0.45) ALDH1A1MAPTANPEPATML3MBTL1
SCHEMBL8432613 0.90 RECQL (0.44) ALDH1A1CYP3A4HTTNAMPTL3MBTL1
SCHEMBL7789577 0.86 CYP1A2 (0.47) ALDH1A1CYP3A4MAPTSMN1; SMN2
SCHEMBL7799010 0.85 POLB (0.37) ALDH1A1MAPTGAAANPEPATM
SCHEMBL7797828 0.84 POLB (0.44) ALDH1A1ATM
SCHEMBL7799091 0.84 NPC1 (0.40) L3MBTL1LMNA
SCHEMBL7796446 0.83 POLB (0.48) L3MBTL1LMNA
SCHEMBL8175076 0.82 FPR2 (0.41) ROCK2ROCK1
SCHEMBL7797839 0.82 NPC1 (0.44) LMNA
SCHEMBL8178600 0.82 CTRB1 (0.42) ALDH1A1MAPTL3MBTL1LMNA

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