SCHEMBL416841

SCHEMBL416841

O=C(c1ccccc1)c1cn[nH]c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
GAA P10253 3/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NOD2 Q9HC29 1/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 1/20 0.49
AKR1C3 P42330 1/20 0.47
CCNE2 O96020 2/20 0.47
CCNE1 P24864 2/20 0.47
CDK2 P24941 2/20 0.47
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
CCNB2 O95067 1/20 0.45
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNB3 Q8WWL7 1/20 0.45

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
SCHEMBL11201621 0.80 GAA (0.52) ALDH1A1GAATSHRHTTSMN1; SMN2
SCHEMBL7700289 0.80 ALDH1A1 (0.46) ALDH1A1GAATSHRHTTSMN1; SMN2
SCHEMBL11307262 0.75 ALDH1A1 (0.45) ALDH1A1GAATSHRHTTSMN1; SMN2
SCHEMBL5261917 0.73 CCNE2 (0.66) ALDH1A1GAATSHRHTTSMN1; SMN2
SCHEMBL11176218 0.73 CCNE2 (0.47) ALDH1A1GAATSHRHTTSMN1; SMN2
SCHEMBL700595 0.70 AKR1C3 (0.85) ALDH1A1GAATSHRKMT2AMEN1
SCHEMBL29447165 0.70 AKR1C3 (0.85) ALDH1A1GAATSHRKMT2AMEN1
SCHEMBL5069965 0.69 MAPT (0.69) ALDH1A1GAAHTTSMN1; SMN2KMT2A
SCHEMBL28883310 0.68 AKR1C3 (0.81) ALDH1A1GAASMN1; SMN2KMT2AMEN1
Fluoride SCHEMBL28319246 0.68 AKR1C3 (0.81) ALDH1A1GAASMN1; SMN2KMT2AMEN1

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 103 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0282944-B1 Pyrazole derivative and herbicide containing it NISSAN CHEMICAL IND LTD (JP) 1996-09-11 EP claimed
EP-0352543-B1 Pyrazole derivatives and herbicides containing them NISSAN CHEMICAL IND LTD (JP) 1994-09-28 EP claimed
US-RE34408-E Reacting carbon monoxide with a 5-hydroxy pyrazole and a substituted benzene NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1993-10-12 US claimed
EP-0344775-B1 PROCESS FOR PRODUCING 4-BENZOYL-5-HYDROXYPYRAZOLES NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1993-08-04 EP claimed
US-4942246-A CARBONYLATION, CONDENSATION, HERBICIDES NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1990-07-17 US claimed
EP-0344775-A1 Process for producing 4-benzoyl-5-hydroxypyrazoles NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-12-06 EP claimed
CN-88101455-A Pyrazole derivatives and herbicides containing the same 1988-09-28 CN claimed
EP-0282944-A2 Pyrazole derivative and herbicide containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1988-09-21 EP claimed
EP-0071833-B1 PROCESS FOR PRODUCING 4-BENZOYLPYRAZOLES ISHIHARA SANGYO KAISHA, LTD. (JP) 1987-02-04 EP claimed
US-4415739-A Process for producing 4-benzoylpyrazoles ISHIHARA SANGYO KAISHA LTD. (JP) 1983-11-15 US claimed
US-4383116-A Process for producing 4-benzoylpyrazoles ISHIHARA SANGYO KAISHA LTD. (JP) 1983-05-10 US claimed
EP-0071833-A1 Process for producing 4-benzoylpyrazoles ISHIHARA SANGYO KAISHA, LTD. (JP) 1983-02-16 EP claimed
JP-58023668-A None JP disclosed
JP-56043272-A None JP disclosed
JP-10095702-A None JP disclosed
JP-55113706-A None JP disclosed
JP-S5643272-A PRODUCTION OF 4-BENZOYL-5-HYDROXYPYRAZOLE ISHIHARA SANGYO KAISHA LTD 1981-04-21 JP disclosed
US-4230481-A INSECTICIDES; FUNGICIDES ISHIHARA SANGYO KAISHA LIMITED (JP) 1980-10-28 US disclosed
JP-S55113706-A HERBICIDE SANKYO CO LTD 1980-09-02 JP disclosed
US-4070536-A Process for the preparation of 4-benzoylpyrazole derivatives SANKYO COMPANY LIMITED (JA) 1978-01-24 US disclosed