SCHEMBL6183667

SCHEMBL6183667

CSc1c(C(=O)Cl)ccc2c1OCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.39
MAOB P27338 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
HPGD P15428 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
ALDH1A1 P00352 2/20 0.33
NQO2 P16083 2/20 0.33
MAPK1 P28482 1/20 0.33
TXNRD1 Q16881 1/20 0.33
TXNRD3 Q86VQ6 1/20 0.33

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
SCHEMBL6184313 0.88 KDM4E (0.38) SMN1; SMN2NPC1MAPTRAB9AHPGD
SCHEMBL6186035 0.86 ALDH1A1 (0.41) AOC3MAOBSMN1; SMN2NPC1POLB
Hydrochloric Acid SCHEMBL6183669 0.84 ALDH1A1 (0.40) AOC3MAOBSMN1; SMN2NPC1POLB
SCHEMBL6182003 0.79 AOC3 (0.42) AOC3SMN1; SMN2NPC1POLBMAPT
SCHEMBL9348938 0.76 RAB9A (0.39) AOC3SMN1; SMN2NPC1POLBRAB9A
SCHEMBL9239223 0.76 MTNR1A (0.38) AOC3MAOBSMN1; SMN2NPC1POLB
SCHEMBL10343154 0.73 AOC3 (0.37) AOC3SMN1; SMN2NPC1POLBRAB9A
SCHEMBL6203050 0.73 KDM4E (0.44) SMN1; SMN2NPC1MAPTRAB9AMEN1
SCHEMBL6184375 0.73 CTNNB1 (0.31)
SCHEMBL6182422 0.72 RAB9A (0.35) AOC3MAOBSMN1; SMN2NPC1POLB

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 5 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 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