SCHEMBL4644758

SCHEMBL4644758

O=C(C=COc1ccccc1)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.68
EPHX2 P34913 2/20 0.55
ALDH1A1 P00352 2/20 0.54
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
NAMPT P43490 1/20 0.48
FAAH O00519 1/20 0.48
MAPT P10636 2/20 0.48
HIF1A Q16665 1/20 0.47
FPR2 P25090 1/20 0.47
HPGD P15428 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
GAA P10253 1/20 0.47
TGM2 P21980 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL4645411 0.86 ALDH1A1 (0.52) KMT2AALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL4645874 0.84 ALDH1A1 (0.57) ALDH1A1CYP1A2MAPTHIF1ATGM2
SCHEMBL4648316 0.83 MMP1 (0.61) KMT2AALDH1A1MAPTTGM2SMN1; SMN2
SCHEMBL4646849 0.82 MMP1 (0.68) KMT2AALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL8858453 0.81 KMT2A (0.72) KMT2AEPHX2ALDH1A1CA12CA1
SCHEMBL8858450 0.81 KMT2A (0.72) KMT2AEPHX2ALDH1A1CA12CA1
SCHEMBL4648924 0.80 ALDH1A1 (0.58) KMT2AALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL4645027 0.80 MMP1 (0.61) KMT2AALDH1A1MAPTHPGDTGM2
SCHEMBL4644760 0.80 ALDH1A1 (0.54) KMT2AALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL4648510 0.79 ALDH1A1 (0.66) KMT2AALDH1A1MAPTHIF1AHPGD

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-1957459-A2 IMINOPROPENE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-08-20 EP disclosed
WO-2007063702-A2 IMINOPROPENE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-07 WO disclosed