SCHEMBL7524044

SCHEMBL7524044

O=C1C=C(Nc2ccc(C(F)(F)F)cc2)CO1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.40
EPHX2 P34913 4/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPT P10636 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
AKT1 P31749 1/20 0.37
DHODH Q02127 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
AKR1C3 P42330 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
SCHEMBL7520161 0.82 KIF11 (0.52) KIF11MAPTDHODHAKR1C3
SCHEMBL7528545 0.78 KDM4E (0.58) KMT2AMEN1MAPTCA1KDM4E
SCHEMBL7520380 0.78 MT-CO2 (0.51) KMT2AMEN1MAPTKDM4E
SCHEMBL7518230 0.78 KDM4E (0.40) KMT2AMEN1MAPTCA1CA2
SCHEMBL7517596 0.78 ALDH1A1 (0.54) KMT2AMEN1MAPTCA1KDM4E
SCHEMBL3214101 0.71 BACE1 (0.42) KIF11
SCHEMBL7557829 0.71 KMT2A (0.43) KIF11EPHX2KMT2AMEN1MAPT
SCHEMBL1921455 0.70 EPHX2 (0.56) KIF11EPHX2KMT2AMEN1CA1
SCHEMBL394422 0.70 EPHX2 (0.56) KIF11EPHX2KMT2AMEN1CA1
SCHEMBL7526669 0.68 KMT2A (0.60) EPHX2KMT2AMEN1MAPTCA1

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-1173420-A2 HETEROCYCLIC COMPOUNDS HAVING ANTITUMOR ACTIVITY Novuspharma S.p.A. (IT) 2002-01-23 EP disclosed
WO-2000053581-A2 HETEROCYCLIC COMPOUNDS HAVING ANTITUMOR ACTIVITY NOVUSPHARMA S.P.A. (IT) 2000-09-14 WO disclosed