SCHEMBL7799098

SCHEMBL7799098

Cc1ccc(C(=O)NC(Cc2ccccc2)C2CC(Cc3ccccc3)=NO2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MMP9 P14780 1/20 0.39
SCN2A Q99250 2/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 2/20 0.38
LMNA P02545 2/20 0.38
OPRK1 P41145 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
SCN5A Q14524 1/20 0.37
POLB P06746 1/20 0.37
CTRB1 P17538 3/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 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
SCHEMBL7789569 0.92 CTRB1 (0.43) NPC1RAB9AHPGDCTRB1
SCHEMBL8167549 0.92 CTRB1 (0.43) NPC1RAB9AHPGDCTRB1
SCHEMBL7800273 0.89 SMN1; SMN2 (0.46) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL7789564 0.86 NPC1 (0.53) NPC1RAB9ATP53LMNAMAPT
SCHEMBL7796487 0.85 PPARG (0.37)
SCHEMBL8178600 0.85 CTRB1 (0.42) NPC1RAB9ALMNAMAPTPOLB
SCHEMBL7789521 0.85 CTRB1 (0.42) NPC1RAB9ALMNAMAPTPOLB
SCHEMBL7799091 0.85 NPC1 (0.40) NPC1RAB9AMMP9LMNACTRB1
SCHEMBL7800262 0.84 CTSL (0.46) LMNAMAPTSMN1; SMN2CTRB1MEN1
SCHEMBL7789535 0.83 NPC1 (0.38) NPC1RAB9ALMNAKDM4ESMN1; SMN2

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