SCHEMBL5742980

SCHEMBL5742980

O=C(NCl)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.78
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
MAPT P10636 2/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
MTOR P42345 3/20 0.57
BAZ1A Q9NRL2 1/20 0.57
RAB9A P51151 2/20 0.56
KIF11 P52732 1/20 0.56
TGM2 P21980 1/20 0.56
NPC1 O15118 1/20 0.56
RORC P51449 1/20 0.56
HTT P42858 2/20 0.55
LMNA P02545 1/20 0.54
NAMPT P43490 1/20 0.54
CNR1 P21554 1/20 0.54
TRPV1 Q8NER1 1/20 0.53

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
SCHEMBL11003408 0.88 EPHX2 (1.00) EPHX2MEN1KMT2AMAPTCA12
SCHEMBL28729179 0.88 EPHX2 (1.00) EPHX2MEN1KMT2AMAPTCA12
SCHEMBL4922162 0.83 EPHX2 (0.81) EPHX2MEN1KMT2AMAPTCA12
SCHEMBL12491371 0.82 EPHX2 (0.81) EPHX2MEN1KMT2AMAPTCA12
SCHEMBL12413880 0.81 EPHX2 (0.78) EPHX2MEN1KMT2AMAPTCA12
SCHEMBL5809373 0.81 EPHX2 (0.85) EPHX2MEN1KMT2AMAPTCA12
SCHEMBL7524681 0.81 EPHX2 (0.78) EPHX2MEN1KMT2AMAPTCA12
SCHEMBL18031166 0.81 EPHX2 (0.85) EPHX2MEN1KMT2AMAPTCA12
SCHEMBL4548071 0.81 EPHX2 (0.85) EPHX2MEN1KMT2AMAPTCA12
SCHEMBL9835395 0.80 EPHX2 (0.70) EPHX2MEN1KMT2AMAPTCA12

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
CN-103570723-A Pyrazolopyrimidine derivative, its preparation method, and its use in preparation of medicines UNIV SICHUAN 2014-02-12 CN disclosed
EP-1727541-A1 IMIDAZOLE-BASED HMG-COA REDUCTASE INHIBITORS Warner-Lambert Company LLC (US) 2006-12-06 EP disclosed
WO-2006059210-A2 FUSED BICYCLIC PYRROLS AS HMG-COA REDUCTASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2006-06-08 WO disclosed
WO-2005079790-A1 IMIDAZOLE-BASED HMG-COA REDUCTASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-09-01 WO disclosed