SCHEMBL28275646

SCHEMBL28275646

NCc1cccc(C(=O)C(O)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.54
ENPP2 Q13822 1/20 0.44
HTR2C P28335 1/20 0.43
CFD P00746 1/20 0.42
PNMT P11086 1/20 0.40
ANPEP P15144 1/20 0.40
ENPEP Q07075 1/20 0.40
FOLH1 Q04609 1/20 0.40
ACHE P22303 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NOS3 P29474 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
SCHEMBL22668308 0.81 LOXL2 (0.60) LOXL2ENPP2HTR2CCFDPNMT
SCHEMBL28293176 0.80 CES2 (0.55) LOXL2ENPP2HTR2CCFDPNMT
SCHEMBL27594322 0.77 LOXL2 (0.65) LOXL2ENPP2HTR2CCFDPNMT
SCHEMBL31500915 0.76 FOLH1 (0.66) LOXL2ENPP2ANPEPENPEPFOLH1
SCHEMBL509423 0.76 LOXL2 (0.66) LOXL2ENPP2CFDFOLH1TSHR
SCHEMBL31500919 0.76 FOLH1 (0.66) LOXL2ENPP2ANPEPENPEPFOLH1
SCHEMBL61226 0.76 FOLH1 (0.66) LOXL2ENPP2ANPEPENPEPFOLH1
SCHEMBL29364575 0.76 LOXL2 (0.66) LOXL2ENPP2CFDFOLH1TSHR
SCHEMBL28879968 0.75 LOXL2 (0.57) LOXL2ENPP2HTR2CCFDPNMT
SCHEMBL2642751 0.74 LOXL2 (0.66) LOXL2ENPP2CFDMRGPRX4ALDH1A1

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
CN-104995176-B Hydantoins that modulate BACE mediated APP processing 巴克老龄化研究所 2019-02-22 CN disclosed