SCHEMBL19964310

SCHEMBL19964310

NCc1cc2c(cn1)ncn2Cc1cccc(C(=O)Nc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 7/20 0.53
FLT3 P36888 1/20 0.46
GRK2 P25098 1/20 0.45
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
LOX P28300 2/20 0.43
SLC2A1 P11166 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HSD17B13 Q7Z5P4 1/20 0.42
IDO1 P14902 4/20 0.42
NR1I2 O75469 1/20 0.41
KLKB1 P03952 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
SCHEMBL19964494 0.91 FLT3 (0.46) LOXL2FLT3GRK2FAAHMGLL
SCHEMBL19964496 0.86 IDO1 (0.48) FLT3GRK2FAAHMGLLSLC2A1
SCHEMBL19964536 0.85 FLT3 (0.42) LOXL2FLT3GRK2FAAHMGLL
SCHEMBL19953258 0.83 IDO1 (0.46) FLT3GRK2FAAHMGLLSLC2A1
SCHEMBL19953244 0.82 LOXL2 (0.46) LOXL2LOXALDH1A1
SCHEMBL19421692 0.77 FLT3 (0.51) FLT3GRK2SLC2A1IDO1
SCHEMBL19964495 0.73 LOXL2 (0.62) LOXL2LOX
Hydrochloric Acid SCHEMBL19953267 0.72 LOXL2 (0.62) LOXL2LOX
SCHEMBL4508334 0.70 HDAC1 (0.52) SLC2A1ALDH1A1IDO1
SCHEMBL18361783 0.70 LOXL2 (0.64) LOXL2LOX

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
WO-2018048930-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 WO disclosed