SCHEMBL8100359

SCHEMBL8100359

C[S+]([O-])c1ccc(-c2oncc2C(=O)C2CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CHRNA7 P36544 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 1/20 0.30
MELK Q14680 1/20 0.30

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
SCHEMBL8729837 0.82 HCRTR1 (0.35) HCRTR1HCRTR2LMNACHRNA7
SCHEMBL8109638 0.81 PTGS2 (0.41) CHRNA7MELK
SCHEMBL9115919 0.80 RAB9A (0.44) NPC1RAB9ASMN1; SMN2CHRNA7
SCHEMBL8108797 0.79 HCRTR1 (0.37) HCRTR1HCRTR2LMNANPC1RAB9A
SCHEMBL9114552 0.76 DHODH (0.43) NPC1RAB9AKDM4E
SCHEMBL8045015 0.76 HCRTR1 (0.33) HCRTR1HCRTR2LMNANPC1RAB9A
SCHEMBL9115252 0.76 TRPV1 (0.47) LMNANPC1RAB9AHTTSMN1; SMN2
SCHEMBL8109508 0.74 NPC1 (0.44) LMNANPC1RAB9AHTTSMN1; SMN2
SCHEMBL9116403 0.73
SCHEMBL8100138 0.72 PIK3CD (0.38) NPC1RAB9ACHRNA7MELK

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0524018-B1 Isoxazole herbicides RHONE POULENC AGRICULTURE (GB) 2000-10-18 EP claimed
US-5366957-A Plant growth regulators RHONE-POULENC ARGRICULTURE LTD (GB) 1994-11-22 US claimed
EP-0524018-A1 Isoxazole herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-01-20 EP claimed
EP-0524018-B1 Isoxazole herbicides RHONE POULENC AGRICULTURE (GB) 2000-10-18 EP disclosed
US-5424276-A Herbicidal 4-acyl-5-pyridylisoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1995-06-13 US disclosed
US-5366957-A Plant growth regulators RHONE-POULENC ARGRICULTURE LTD (GB) 1994-11-22 US disclosed
EP-0524018-A1 Isoxazole herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-01-20 EP disclosed