SCHEMBL8024405

SCHEMBL8024405

CC1=NN=Cc2cc3c(cc2C1)OCO3

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP2D6 P10635 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
NFKB1 P19838 1/20 0.45
CYP2C19 P33261 1/20 0.45
GRIA2 P42262 1/20 0.45
HIF1A Q16665 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.44
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
Hydrochloric Acid SCHEMBL6999098 0.98 LMNA (0.46) MEN1ALDH1A1CYP2D6MAPTKMT2A
SCHEMBL30862186 0.67 KDM4E (0.41) MEN1ALDH1A1CYP2D6MAPTKMT2A
SCHEMBL6997599 0.66 TRPA1 (0.46)
SCHEMBL9573062 0.65 KDM4E (0.46) MEN1ALDH1A1CYP2D6MAPTKMT2A
SCHEMBL30834462 0.65 KDM4E (0.46) MEN1ALDH1A1CYP2D6MAPTKMT2A
SCHEMBL5881292 0.64 CYP2D6 (0.40) MEN1ALDH1A1CYP2D6MAPTKMT2A
SCHEMBL16472556 0.64 CYP3A4 (0.44) MEN1ALDH1A1CYP2D6MAPTKMT2A
Gyki-52466 SCHEMBL194854 0.62 GRIA2 (1.00) MEN1ALDH1A1CYP2D6MAPTKMT2A
SCHEMBL25232000 0.62 MEN1 (0.40) MEN1ALDH1A1CYP2D6MAPTKMT2A
SCHEMBL30667023 0.62 KDM4E (0.40) MEN1ALDH1A1CYP2D6MAPTKMT2A

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-0767794-B1 PHOSPHINIC ACID DERIVATIVES SCHERING CORP (US) 2000-02-02 EP claimed
WO-2000053166-A2 USE OF CONDENSED 2,3-BENZODIAZEPINE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF DISEASES RELATED TO THE INHIBITION OF LIPID PEROXIDATION EGIS Gyógyszergyár Rt. (HU) 2000-09-14 WO disclosed