SCHEMBL7789564

SCHEMBL7789564

O=C(NC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 1/20 0.53
TAAR1 Q96RJ0 1/20 0.43
CA2 P00918 1/20 0.42
MAPT P10636 3/20 0.41
GAA P10253 1/20 0.41
BACE1 P56817 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
USP21 Q9UK80 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38

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
SCHEMBL7789569 0.89 CTRB1 (0.43) NPC1RAB9A
SCHEMBL8167549 0.89 CTRB1 (0.43) NPC1RAB9A
SCHEMBL7799098 0.86 RXFP1 (0.40) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL7797817 0.86 MEN1 (0.41) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL7797819 0.85 CA1 (0.41) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL7800273 0.83 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2CA2GAA
SCHEMBL7796639 0.83 PTPRF (0.40) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL7796443 0.82 ALDH1A1 (0.40) NPC1RAB9ASMN1; SMN2TP53CA2
SCHEMBL8178600 0.79 CTRB1 (0.42) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL7799091 0.79 NPC1 (0.40) NPC1RAB9AKMT2ALMNA

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