SCHEMBL6182422

SCHEMBL6182422

CSc1c(C(=O)c2cnoc2C2CC2)ccc2c1OCO2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
NPC1 O15118 5/20 0.35
TP53 P04637 1/20 0.35
DHODH Q02127 3/20 0.34
PDE2A O00408 1/20 0.34
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
HPGD P15428 3/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
ACHE P22303 1/20 0.32
AOC3 Q16853 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 3/20 0.31
CASP3 P42574 1/20 0.31

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
SCHEMBL6183081 0.91 DHODH (0.34) RAB9ASMN1; SMN2NPC1TP53DHODH
SCHEMBL6179992 0.85 NPC1 (0.37) RAB9ASMN1; SMN2NPC1TP53DHODH
SCHEMBL6181368 0.83 DHODH (0.34) DHODHPDE2A
SCHEMBL8752752 0.82 DHODH (0.36) RAB9ASMN1; SMN2DHODHPDE2AHPGD
SCHEMBL6181189 0.81 NPC1 (0.35) RAB9ASMN1; SMN2NPC1TP53DHODH
SCHEMBL8752743 0.80 DHODH (0.36) RAB9ASMN1; SMN2NPC1DHODHPDE2A
SCHEMBL9113826 0.80 DHODH (0.38) RAB9ASMN1; SMN2DHODHPDE2AHPGD
SCHEMBL8605928 0.80 DHODH (0.36) RAB9ASMN1; SMN2DHODHPDE2AHPGD
SCHEMBL6182121 0.80 PDE2A (0.35) RAB9ASMN1; SMN2NPC1TP53DHODH
SCHEMBL9242247 0.80 TAS2R8 (0.38) RAB9ASMN1; SMN2NPC1TP53DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1160244-B1 Isoxazole derivatives and their use as herbicides BAYER AGRICULTURE LTD (GB) 2005-10-19 EP claimed
EP-1160244-A1 Isoxazole derivatives and their use as herbicides RHONE-POULENC AGRICULTURE LIMITED (GB) 2001-12-05 EP claimed
US-5489570-A PRE- OR POST-EMERGENCE RHONE-POULENC AGRICULTURE LIMITED (GB) 1996-02-06 US claimed
EP-0636622-A1 Isoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1995-02-01 EP claimed
EP-1160244-B1 Isoxazole derivatives and their use as herbicides BAYER AGRICULTURE LTD (GB) 2005-10-19 EP disclosed
EP-1160244-A1 Isoxazole derivatives and their use as herbicides RHONE-POULENC AGRICULTURE LIMITED (GB) 2001-12-05 EP disclosed
US-5489570-A PRE- OR POST-EMERGENCE RHONE-POULENC AGRICULTURE LIMITED (GB) 1996-02-06 US disclosed
WO-1995025099-A1 2-CYANO-1,3-DIONE DERIVATIVES USEFUL AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1995-09-21 WO disclosed
EP-0636622-A1 Isoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1995-02-01 EP disclosed