SCHEMBL9076331

SCHEMBL9076331

COC(=O)c1c(Cl)ccc(C(=O)c2cnn(C)c2O)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 3/20 0.36
CYP2C19 P33261 3/20 0.36
PKM P14618 1/20 0.36
NOTUM Q6P988 2/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
NR4A2 P43354 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 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
SCHEMBL9077921 0.85 KDM4E (0.33) KDM4EALDH1A1GAACYP1A2CYP2C19
SCHEMBL9076935 0.84 SMN1; SMN2 (0.40) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL9078368 0.84 KDM4E (0.32) KDM4EALDH1A1GAACYP1A2CYP2C19
SCHEMBL10729447 0.83 HTT (0.34) KDM4EALDH1A1CYP1A2PKMKMT2A
SCHEMBL4507444 0.81 PDE4D (0.39) KDM4EALDH1A1HTR2AHTR2CMEN1
SCHEMBL10724382 0.80 PKM (0.34) ALDH1A1PKMMEN1KMT2AHSD17B10
SCHEMBL8675021 0.79 SMN1; SMN2 (0.33) ALDH1A1KMT2AHPGD
SCHEMBL8675019 0.79 SMN1; SMN2 (0.33) ALDH1A1KMT2AHPGD
SCHEMBL8423375 0.79 FGFR1 (0.34) ALDH1A1CYP1A2PKMKMT2AHPGD
SCHEMBL9078850 0.79 KMO (0.33) KDM4EALDH1A1CYP1A2CYP2C19PKM

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 2 patents. 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-0282944-A2 Pyrazole derivative and herbicide containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1988-09-21 EP claimed