SCHEMBL1910539

SCHEMBL1910539

Nc1ccc(-c2nc(C(=O)O)ccc2F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B14 Q9BPX1 1/20 0.40
KMO O15229 4/20 0.40
KIT P10721 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PADI1 Q9ULC6 1/20 0.36
PADI3 Q9ULW8 1/20 0.36
PADI4 Q9UM07 1/20 0.36
PADI2 Q9Y2J8 1/20 0.36
GRM2 Q14416 1/20 0.36
PIM1 P11309 4/20 0.35
PIM3 Q86V86 4/20 0.35
PIM2 Q9P1W9 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALOX15 P16050 2/20 0.35
TSHR P16473 1/20 0.35
ACMSD Q8TDX5 1/20 0.35

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
SCHEMBL1711387 0.84 KMO (0.54) KMOPIM1PIM3PIM2KDM4E
SCHEMBL319603 0.78 CTSA (0.46) HSD17B14KMOPDE4APDE4BPDE4C
SCHEMBL319496 0.78 MGAM (0.44) PIM1PIM3PIM2TDP1KDM4E
SCHEMBL1711474 0.76 KMO (0.44) KMOPIM1PIM3PIM2TDP1
SCHEMBL1712177 0.74 PIM1 (0.44) KMOPIM1PIM3PIM2TDP1
SCHEMBL1711234 0.72 P4HTM (0.53) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL1725525 0.72 KDM4E (0.46) KMOPIM1PIM3PIM2TDP1
SCHEMBL1722822 0.71 KMO (0.54) HSD17B14KMOTDP1KDM4EALOX15
SCHEMBL1910596 0.71 KDM4E (0.36) PIM1PIM3PIM2TDP1KDM4E
SCHEMBL1711956 0.71 CTSA (0.50) GRM2PIM1PIM3PIM2KDM4E

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
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 WO disclosed