SCHEMBL14213192

SCHEMBL14213192

NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 3/20 0.67
HPGDS O60760 2/20 0.62
ALOX15 P16050 1/20 0.58
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
LMNA P02545 1/20 0.58
MPO P05164 1/20 0.58
MAPT P10636 1/20 0.58
TSHR P16473 1/20 0.58
BLM P54132 1/20 0.58
PMP22 Q01453 1/20 0.58
KMT2A Q03164 1/20 0.58
HIF1A Q16665 1/20 0.58
ACE P12821 3/20 0.57
F10 P00742 1/20 0.57
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA9 Q16790 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
ERAP2 Q6P179 1/20 0.56

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
SCHEMBL6715572 0.90 ECE1 (0.66) ECE1HPGDSALOX15KDM4EMEN1
SCHEMBL29599837 0.90 ALOX15 (0.71) ECE1ALOX15KDM4EMEN1LMNA
SCHEMBL3831270 0.90 ALOX15 (0.71) ECE1ALOX15KDM4EMEN1LMNA
SCHEMBL3829865 0.90 ALOX15 (0.71) ECE1ALOX15KDM4EMEN1LMNA
SCHEMBL29865999 0.90 ALOX15 (0.71) ECE1ALOX15KDM4EMEN1LMNA
SCHEMBL5374217 0.90 ALOX15 (0.71) ECE1ALOX15KDM4EMEN1LMNA
Acetyltryptophanamide SCHEMBL22850012 0.89 ECE1 (0.68) ECE1HPGDSALOX15KDM4EMEN1
Hydrochloric Acid SCHEMBL27511139 0.89 ALOX15 (0.70) ECE1ALOX15KDM4EMEN1LMNA
Acetyltryptophanamide SCHEMBL3202823 0.89 ECE1 (0.68) ECE1HPGDSALOX15KDM4EMEN1
Acetyltryptophanamide SCHEMBL455277 0.89 ECE1 (0.68) ECE1HPGDSALOX15KDM4EMEN1

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-20080119517-A1 COMPOSITIONS AND METHODS FOR PROTECTING AGAINST MITOCHONDRIA COMPONENT-MEDIATED PATHOLOGY CORNELL RESEARCH FOUNDATION, INC. (US) 2008-05-22 US disclosed