SCHEMBL8784950

SCHEMBL8784950

O=[N+]([O-])c1ccccc1C=C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 2/20 0.50
▸ TDP2 O95551 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ CASP9 P55211 1/20 0.50
▸ CASP6 P55212 1/20 0.50
▸ CASP8 Q14790 1/20 0.50
▸ ALDH1A1 P00352 7/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ MAPT P10636 5/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ MITF O75030 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ CA12 O43570 1/20 0.44
▸ SOS1 Q07889 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43

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
SCHEMBL8785245 0.98 XDH (0.51) XDHTDP2CASP7CASP9CASP6
SCHEMBL3438347 0.79 ALDH1A1 (0.53) XDHTDP2CASP7CASP9CASP6
SCHEMBL3438348 0.79 ALDH1A1 (0.53) XDHTDP2CASP7CASP9CASP6
SCHEMBL30969584 0.78 MAPT (0.59) XDHTDP2CASP7CASP9CASP6
SCHEMBL7416490 0.74 GPR35 (0.47) ALDH1A1NPC1MAPTTDP1GAA
SCHEMBL3586175 0.74 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL114440 0.73 MAPT (0.58) XDHALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL9978289 0.73 MAPT (0.69) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL14935499 0.73 MAPT (0.69) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL11049170 0.73 MAPT (0.69) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623113-B1 PYRAZOLE CARBOXANILIDE FUNGICIDES MONSANTO CO (US) 1997-03-05 — — EP disclosed
EP-0623113-A1 PYRAZOLE CARBOXANILIDE FUNGICIDES. MONSANTO CO (US) 1994-11-09 — — EP disclosed
US-5223526-A For plants MONSANTO COMPANY (US) 1993-06-29 — — US disclosed
WO-1993011117-A1 PYRAZOLE CARBOXANILIDE FUNGICIDES MONSANTO COMPANY (US) 1993-06-10 — — WO disclosed
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