SCHEMBL14218238

SCHEMBL14218238

N=Cc1cc(C=O)ccc1Nc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
PRKD3 O94806 1/20 0.40
EGFR P00533 1/20 0.40
PRKCG P05129 1/20 0.40
PRKCB P05771 1/20 0.40
SRC P12931 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCH P24723 1/20 0.40
PRKCI P41743 1/20 0.40
PRKCE Q02156 1/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCZ Q05513 1/20 0.40
PRKCD Q05655 1/20 0.40
PRKD1 Q15139 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.37
SOS1 Q07889 1/20 0.36
ALDH1A1 P00352 2/20 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
SCHEMBL26495850 0.78 MAPT (0.41) MEN1KMT2AMAPTPRKD3EGFR
SCHEMBL22828956 0.78 TDP1 (0.40) MEN1KMT2AMAPTPRKD3EGFR
SCHEMBL25648742 0.77 KMT2A (0.38) MEN1KMT2AMAPTPRKD3EGFR
SCHEMBL14185945 0.75 EGFR (0.47) MEN1KMT2AMAPTEGFRTDP1
SCHEMBL17487923 0.74 PTGS1 (0.44) MEN1KMT2AMAPTPRKD3EGFR
SCHEMBL15332315 0.72 ERN1 (0.43) MEN1KMT2AMAPTPRKD3EGFR
SCHEMBL2559807 0.70 MEN1 (0.43) MEN1KMT2AMAPTPRKD3EGFR
SCHEMBL24283166 0.70 MAPK10 (0.37) MEN1KMT2AMAPTPRKD3EGFR
SCHEMBL13890943 0.70 MEN1 (0.40) MEN1KMT2AMAPTPRKD3EGFR
SCHEMBL28376321 0.69 MAOA (0.46) MEN1KMT2AMAPTPRKD3EGFR

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
WO-2008057856-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 WO disclosed