SCHEMBL7524917

SCHEMBL7524917

O=C1C=C(Nc2ccc(C(F)(F)F)c(Cl)c2)CO1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 3/20 0.39
GRM4 Q14833 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.36
CNR1 P21554 1/20 0.35
KDR P35968 2/20 0.35
RAPGEF4 Q8WZA2 1/20 0.35
STK10 O94804 1/20 0.35
SLK Q9H2G2 1/20 0.35
TRPV1 Q8NER1 4/20 0.35
FLT1 P17948 1/20 0.34
SYK P43405 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
MAP2K1 Q02750 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL29926760 0.83 RAB9A (0.40) MEN1KMT2AALDH1A1RAPGEF4
SCHEMBL28463421 0.83 RAB9A (0.40) MEN1KMT2AALDH1A1RAPGEF4
SCHEMBL7524238 0.79 RAPGEF4 (0.46) MEN1KMT2AALDH1A1RAPGEF4
SCHEMBL7524044 0.77 KIF11 (0.40) MEN1KMT2A
SCHEMBL7517906 0.77 KMT2A (0.38) MEN1KMT2AALDH1A1
SCHEMBL7519427 0.76 GRM4 (0.44) GRM4MEN1KMT2AALDH1A1CNR1
SCHEMBL7520161 0.75 KIF11 (0.52) ALDH1A1RAPGEF4
SCHEMBL7517549 0.74 P2RX3 (0.38) MEN1KMT2AALDH1A1
SCHEMBL7522665 0.72 CTRC (0.39) MEN1KMT2AALDH1A1
SCHEMBL7513779 0.70 AHR (0.35) KDRPDE3BPDE3A

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