SCHEMBL9053661

SCHEMBL9053661

O=C(O)c1cn([C@@H]2C[C@@H]2F)c2c(F)c(N3CC4NC4C3)c(F)cc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.49
ALDH1A1 P00352 7/20 0.49
HPGD P15428 6/20 0.49
HSD17B10 Q99714 6/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PMP22 Q01453 1/20 0.48
POLB P06746 3/20 0.47
OPRM1 P35372 2/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
OPRD1 P41143 1/20 0.47
AADAT Q8N5Z0 2/20 0.46
KCNH2 Q12809 2/20 0.46
PRKD3 O94806 1/20 0.46
ALOX15 P16050 1/20 0.46
CLK2 P49760 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL9053657 1.00 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL9053933 0.90 ALDH1A1 (0.59) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL9053930 0.90 ALDH1A1 (0.59) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL9053681 0.89 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9522707 0.88 ALDH1A1 (0.61) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL6978914 0.86 ALDH1A1 (0.68) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL6978909 0.86 ALDH1A1 (0.68) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL6978921 0.86 ALDH1A1 (0.68) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL10862601 0.86 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9626416 0.86 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10PMP22

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
WO-1996001262-A1 NOVEL QUINOLINE COMPOUND AND PROCESS FOR PREPARATION THEREOF HANMI PHARMACEUTICAL CO., LTD. (KR) 1996-01-18 WO claimed
WO-1996001262-A1 NOVEL QUINOLINE COMPOUND AND PROCESS FOR PREPARATION THEREOF HANMI PHARMACEUTICAL CO., LTD. (KR) 1996-01-18 WO disclosed