SCHEMBL6981482

SCHEMBL6981482

CSc1ccc(C(=O)O)c(C)c1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36
GABRA6 Q16445 2/20 0.36
GABRG1 Q8N1C3 2/20 0.36
GABRG3 Q99928 2/20 0.36
GABRQ Q9UN88 2/20 0.36
MCL1 Q07820 1/20 0.35

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
SCHEMBL27777699 0.87 CYP1A2 (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8489186 0.80 L3MBTL1 (0.40) KDM4EMEN1KMT2AALDH1A1TSHR
SCHEMBL6976990 0.79 GABRP (0.42) KDM4EMEN1KMT2AGABRPGABRD
SCHEMBL27726519 0.78 HAAO (0.40) KDM4EMEN1KMT2AGABRPGABRD
SCHEMBL20448248 0.78 CA12 (0.44) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL7308758 0.77 CSNK2A1 (0.46) KDM4EMEN1KMT2AGABRPGABRD
SCHEMBL8491796 0.76 CA12 (0.42) KDM4EPOLBCYP1A2ALDH1A1TDP1
SCHEMBL8492518 0.76 L3MBTL1 (0.39) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL7865093 0.75 MCL1 (0.37) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL3773890 0.75 TSHR (0.37) MEN1KMT2AGABRPGABRDGABRA1

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-1177194-B1 4-(3',4'-HETEROCYCLYL BENZOYL) PYRAZOLES AS HERBICIDAL AGENTS BASF AG (DE) 2003-09-17 EP disclosed
US-6541423-B1 Controlling vegatation BASF AKTIENGESELLSCHAFT (DE) 2003-04-01 US disclosed
EP-1177194-A1 4-(3',4'-HETEROCYCLYL BENZOYL) PYRAZOLES AS HERBICIDAL AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-02-06 EP disclosed
WO-2000068228-A1 4-(3',4'-HETEROCYCLYL BENZOYL) PYRAZOLES AS HERBICIDAL AGENTS BASF AKTIENGESELLSCHAFT (DE) 2000-11-16 WO disclosed