SCHEMBL18904253

SCHEMBL18904253

N=NC(=O)Cc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.52
GAA P10253 2/20 0.48
TDP1 Q9NUW8 2/20 0.44
POLB P06746 2/20 0.44
APEX1 P27695 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
MET P08581 2/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 3/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL171511 0.79 CTBP2 (0.52) CTBP2GAATDP1POLBAPEX1
SCHEMBL15241380 0.78 CES1 (0.56) CTBP2GAATDP1ALDH1A1LMNA
SCHEMBL1136835 0.76 CTBP2 (0.49) CTBP2GAATDP1POLBAPEX1
SCHEMBL4324709 0.76 GAA (0.53) CTBP2GAATDP1POLBAPEX1
SCHEMBL526194 0.75 GAA (0.57) CTBP2GAATDP1POLBAPEX1
SCHEMBL105873 0.75 MIF (0.48) CTBP2GAATDP1POLBAPEX1
SCHEMBL104746 0.73 CA2 (0.62) CTBP2GAATDP1POLBAPEX1
SCHEMBL11185173 0.73 GAA (0.55) CTBP2GAATDP1POLBAPEX1
SCHEMBL6562633 0.73 GAA (0.55) CTBP2GAATDP1POLBAPEX1
SCHEMBL11578280 0.71 GAA (0.53) CTBP2GAATDP1POLBAPEX1

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-2420498-B1 5-substituted quinazolinone derivatives as anti-cancer agents CELGENE CORP (US) 2017-05-31 EP disclosed