SCHEMBL9750404

SCHEMBL9750404

O=C(O)Oc1cn(-c2ccc(F)cc2)c2c(F)c(N3CCNCC3CO)c(F)cc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 6/20 0.42
HPGD P15428 5/20 0.42
HSD17B10 Q99714 5/20 0.42
LMNA P02545 3/20 0.42
FPR2 P25090 1/20 0.40
SCN9A Q15858 1/20 0.40
PIM1 P11309 2/20 0.36
POLB P06746 1/20 0.35
HSP90AA1 P07900 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TOP2A P11388 4/20 0.35
TOP2B Q02880 3/20 0.35
PMP22 Q01453 1/20 0.35
TOP1 P11387 3/20 0.34
BRD4 O60885 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 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
SCHEMBL9750401 0.90 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9749299 0.87 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9749310 0.86 LMNA (0.41) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL10914301 0.85 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9749842 0.85 KCNH2 (0.42) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9750395 0.85 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL10915561 0.79 HPGD (0.51) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL10915439 0.79 HPGD (0.47) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL10649327 0.78 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL10914020 0.78 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10LMNA

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