SCHEMBL8490972

SCHEMBL8490972

CCOC(=O)c1noc(C2CC2)c1C(=O)c1ccc(-n2cnnn2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
POLB P06746 2/20 0.38
NOTUM Q6P988 2/20 0.38
ESR2 Q92731 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 2/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 3/20 0.37
RXFP1 Q9HBX9 2/20 0.36
TSHR P16473 2/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL8492222 0.92 ALDH1A1 (0.42) KDM4EALDH1A1USP2ALOX15CASP1
SCHEMBL8492214 0.89 KDM4E (0.37) KDM4EALDH1A1USP2ALOX15CASP1
SCHEMBL8490513 0.88 NOTUM (0.38) KDM4EALDH1A1ALOX15NOTUMHPGD
SCHEMBL8487558 0.86 HSP90AA1 (0.41) MEN1KMT2ANOTUMMAPTF9
SCHEMBL8490794 0.84 AVPR2 (0.39) KDM4EALDH1A1ALOX15POLBHPGD
SCHEMBL8525290 0.84 HCRTR2 (0.43) ALDH1A1NOTUMNR1H4
SCHEMBL8494706 0.82 KDM4E (0.39) KDM4EALDH1A1USP2ALOX15CASP1
SCHEMBL8525868 0.82 LMNA (0.37) KDM4EALDH1A1USP2ALOX15CASP1
SCHEMBL8488638 0.82 HTT (0.44) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL8488359 0.80 ALDH1A1 (0.37) KDM4EALDH1A1HPGDHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999003856-A1 4-BENZOYL-ISOXAZOLE- AND -PYRAZOLE DERIVATIVES AND 2-CYANO 1,3-DIONE DERIVATIVES AS HERBICIDES RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-28 WO disclosed