SCHEMBL440411

SCHEMBL440411

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 1/20 0.52
ALDH1A1 P00352 2/20 0.49
PTGES O14684 1/20 0.49
ALOX5 P09917 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
CASP7 P55210 1/20 0.49
HIF1A Q16665 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NR4A2 P43354 1/20 0.46
LMNA P02545 1/20 0.46
DHODH Q02127 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
ACHE P22303 5/20 0.43
BCHE P06276 4/20 0.43
GRIN1 Q05586 4/20 0.43
GRIN2A Q12879 4/20 0.43

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
SCHEMBL2721434 0.84 LMNA (0.58) ALDH1A1PTGESALOX5CYP2C9HPGD
SCHEMBL16621492 0.83 HAVCR2 (0.47) HAVCR2ALDH1A1ALOX5HSD17B10LMNA
SCHEMBL6202230 0.83 ALDH1A1 (0.50) ALDH1A1PTGESALOX5CYP2C9HPGD
Hydrochloric Acid SCHEMBL9872122 0.83 LMNA (0.60) ALDH1A1PTGESALOX5CYP2C9HPGD
SCHEMBL436603 0.81 KDM4E (0.48) HAVCR2ALDH1A1HPGDHSD17B10LMNA
SCHEMBL442132 0.81 TSHR (0.50) HAVCR2ALDH1A1HPGDHSD17B10DHODH
SCHEMBL440033 0.81 KEAP1 (0.49) HAVCR2ALDH1A1DHODHMEN1KMT2A
SCHEMBL441687 0.79 KMT2A (0.62) ALDH1A1CYP2C9HPGDMEN1KMT2A
SCHEMBL436681 0.78 LMNA (0.63) ALDH1A1HPGDHSD17B10LMNAACHE
SCHEMBL439948 0.78 ALDH1A1 (0.53) HAVCR2ALDH1A1HPGDHSD17B10DHODH

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