SCHEMBL439948

SCHEMBL439948

Nc1c(C(=O)O)cnc2ccc(C(F)(F)F)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ALOX5AP P20292 1/20 0.46
FEN1 P39748 1/20 0.46
TBK1 Q9UHD2 1/20 0.44
DHODH Q02127 2/20 0.43
HAVCR2 Q8TDQ0 1/20 0.43
MTOR P42345 1/20 0.42
SORT1 Q99523 2/20 0.42
SLC22A12 Q96S37 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
CSF1R P07333 1/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
DYRK3 O43781 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
CDK1 P06493 1/20 0.41

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
SCHEMBL438818 0.89 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EHSD17B10ALOX5AP
SCHEMBL7688966 0.84 DHODH (0.47) ALDH1A1HPGDKDM4EHSD17B10ALOX5AP
SCHEMBL7555337 0.83 DHODH (0.46) ALDH1A1HPGDKDM4EHSD17B10ALOX5AP
SCHEMBL441445 0.81 PDE5A (0.55) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL440033 0.81 KEAP1 (0.49) ALDH1A1DHODHHAVCR2MEN1KMT2A
SCHEMBL16621492 0.79 HAVCR2 (0.47) ALDH1A1KDM4EHSD17B10HAVCR2CSNK1D
SCHEMBL23935164 0.79 BACE1 (0.45) ALDH1A1HPGDKDM4EHSD17B10ALOX5AP
SCHEMBL29742208 0.79 BACE1 (0.45) ALDH1A1HPGDKDM4EHSD17B10ALOX5AP
SCHEMBL440411 0.78 HAVCR2 (0.52) ALDH1A1HPGDHSD17B10DHODHHAVCR2
SCHEMBL436603 0.78 KDM4E (0.48) ALDH1A1HPGDKDM4EHSD17B10DHODH

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
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed