SCHEMBL13825554

SCHEMBL13825554

COC(=O)c1cc(-n2ccccc2=O)c(C(F)(F)F)cc1NO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.36
RBP4 P02753 2/20 0.36
CFTR P13569 4/20 0.36
LDHA P00338 1/20 0.35
NOTUM Q6P988 1/20 0.34
F10 P00742 3/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA3 P34903 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MYC P01106 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL5167760 0.85 CFTR (0.53) RECQLRBP4CFTRLDHANOTUM
SCHEMBL5166126 0.81 SMN1; SMN2 (0.39) ALDH1A1GLAGAAMEN1KMT2A
SCHEMBL13825597 0.75 CFTR (0.38) RECQLCFTRF10
SCHEMBL3349831 0.68 ALDH1A1 (0.36) RECQLKDM4EALDH1A1GAAHPGD
SCHEMBL4690430 0.68 F10 (0.47) F10MEN1KMT2A
SCHEMBL5627921 0.65 ALDH1A1 (0.51) CFTRF10GABRA1GABRG2GABRB3
SCHEMBL12038157 0.65 CFTR (0.39) RECQLCFTRNOTUMKDM4EALDH1A1
SCHEMBL45490 0.65 LMNA (0.59) RBP4CFTRNOTUMKDM4EALDH1A1
SCHEMBL8610066 0.64 GRIA1 (0.52) RBP4LDHALMNA
SCHEMBL5165307 0.64 CA12 (0.39) RBP4CFTRNOTUMKDM4EALDH1A1

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-1773788-B1 Quinazoline derivatives NOVARTIS AG (CH) 2012-11-14 EP disclosed