SCHEMBL9544291

SCHEMBL9544291

CCOC(=O)c1c(C(F)(F)F)nn(CC)c1SCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAT P00750 1/20 0.39
KDM4E B2RXH2 5/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 3/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 3/20 0.36
PKM P14618 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 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
SCHEMBL9218403 0.83 LMNA (0.34) KDM4EMAPTKMT2AALDH1A1LMNA
SCHEMBL22286228 0.80 MAPK1 (0.46) PLATKDM4EPOLBMAPTKMT2A
SCHEMBL8787277 0.72 KMT2A (0.44) PLATKDM4EPOLBMAPTKMT2A
SCHEMBL21974827 0.71 KDM4E (0.42) PLATKDM4EPOLBMAPTKMT2A
SCHEMBL20551865 0.70 MAPK1 (0.43) PLATKDM4EPOLBMAPTKMT2A
SCHEMBL4625129 0.70 KDM4E (0.47) PLATKDM4EPOLBMAPTKMT2A
SCHEMBL5212164 0.70 CYP1A2 (0.49) PLATKDM4EPOLBMAPTKMT2A
SCHEMBL1865236 0.69 PLAT (0.40) PLATKDM4EPOLBMAPTKMT2A
SCHEMBL4933046 0.69 TSHR (0.46) PLATKDM4EPOLBMAPTKMT2A
SCHEMBL20551457 0.68 MAPK1 (0.41) PLATKDM4EPOLBMAPTKMT2A

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-1993025535-A1 HERBICIDAL PYRAZOLE-(THIO)-CARBOXAMIDES RHONE POULENC AGRICULTURE LTD. (GB) 1993-12-23 WO disclosed