SCHEMBL7783541

SCHEMBL7783541

N=C(N)COc1cccc(F)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 2/20 0.65
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PRSS1 P07477 8/20 0.45
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
F2 P00734 3/20 0.42
F10 P00742 1/20 0.42

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
SCHEMBL30336996 0.82 MEN1 (0.54) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL14783716 0.82 MEN1 (0.54) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL9731633 0.79 WDR5 (0.65) WDR5MEN1KMT2AALDH1A1LMNA
SCHEMBL7782156 0.79 WDR5 (1.00) WDR5LMNASMN1; SMN2PRSS1KDM4E
Hydrochloric Acid SCHEMBL3663564 0.77 WDR5 (0.63) WDR5MEN1KMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL30382158 0.77 WDR5 (0.63) WDR5MEN1KMT2AALDH1A1LMNA
SCHEMBL3368887 0.77 WDR5 (0.66) WDR5LMNAPRSS1
SCHEMBL1221676 0.77 WDR5 (0.64) WDR5MEN1KMT2AALDH1A1PRSS1
SCHEMBL1431527 0.76 LMNA (0.64) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL2718074 0.75 MEN1 (0.54) MEN1KMT2AALDH1A1HPGDLMNA

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
EP-1142881-A1 POLY(ADP-RIBOSE) POLYMERASE INHIBITORS CONSISTING OF PYRIMIDINE DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2001-10-10 EP disclosed