SCHEMBL7796568

SCHEMBL7796568

COc1ccc(NC(=O)NC(Cc2ccccc2)C2CC(Cc3ccccc3)=NO2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 5/20 0.55
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
TACR2 P21452 1/20 0.44
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
FPR1 P21462 2/20 0.43
HIF1A Q16665 1/20 0.43
LMNA P02545 1/20 0.42
CCR3 P51677 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL8175076 0.90 FPR2 (0.41) FPR2
SCHEMBL7800188 0.87 GAA (0.42) FPR2KMT2AMEN1RAB9AALDH1A1
SCHEMBL7800273 0.87 SMN1; SMN2 (0.46) FPR2KMT2AMEN1RAB9AALDH1A1
SCHEMBL7799004 0.87 FPR2 (0.41) FPR2KMT2AMEN1RAB9AALDH1A1
SCHEMBL7796565 0.85 ATM (0.48) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8178968 0.84 NPC1 (0.38) FPR2KMT2AMEN1RAB9AALDH1A1
SCHEMBL7797836 0.84 NPC1 (0.38) FPR2KMT2AMEN1RAB9AALDH1A1
SCHEMBL7799091 0.83 NPC1 (0.40) KMT2ARAB9ALMNANPC1
SCHEMBL7797839 0.81 NPC1 (0.44) RAB9ALMNANPC1
SCHEMBL8178600 0.81 CTRB1 (0.42) KMT2AMEN1RAB9AALDH1A1MAPT

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