SCHEMBL9749299

SCHEMBL9749299

O=C(O)Oc1cn(-c2ccc(F)cc2)c2c(F)c(N3CCC[C@H]3CO)c(F)cc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 5/20 0.40
POLB P06746 1/20 0.39
HSP90AA1 P07900 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HPGD P15428 4/20 0.38
HSD17B10 Q99714 4/20 0.38
FPR2 P25090 1/20 0.38
SCN9A Q15858 1/20 0.38
PIM1 P11309 2/20 0.37
FFAR1 O14842 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NTRK1 P04629 1/20 0.36
MAP4K1 Q92918 1/20 0.36
TOP1 P11387 2/20 0.36
PMP22 Q01453 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
SCHEMBL10425974 0.89 KDM4E (0.50) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL9749297 0.89 KDM4E (0.50) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL9749310 0.89 LMNA (0.41) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL9750404 0.87 KDM4E (0.42) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL9749875 0.85 KCNH2 (0.42) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL9749868 0.84 NTRK1 (0.35) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL10649327 0.82 KDM4E (0.39) KDM4EALDH1A1POLBHSP90AA1RXFP1
Hydrochloric Acid SCHEMBL9668992 0.81 KDM4E (0.38) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL10073763 0.81 KDM4E (0.45) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL10914301 0.80 KDM4E (0.52) KDM4EALDH1A1POLBHSP90AA1RXFP1

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-0216345-B1 QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1992-02-19 EP disclosed
EP-0216345-A2 Quinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 1987-04-01 EP disclosed