SCHEMBL19964494

SCHEMBL19964494

O=C(Nc1ccccc1)c1cccc(Cn2cnc3cnc(CO)cc32)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.46
GRK2 P25098 1/20 0.46
FAAH O00519 1/20 0.45
MGLL Q99685 1/20 0.45
SLC2A1 P11166 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B13 Q7Z5P4 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
IDO1 P14902 5/20 0.43
NR1I2 O75469 3/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL19964310 0.91 LOXL2 (0.53) FLT3GRK2FAAHMGLLSLC2A1
SCHEMBL19964496 0.87 IDO1 (0.48) FLT3GRK2FAAHMGLLSLC2A1
SCHEMBL19964536 0.86 FLT3 (0.42) FLT3GRK2FAAHMGLLSLC2A1
SCHEMBL19953258 0.83 IDO1 (0.46) FLT3GRK2FAAHMGLLSLC2A1
SCHEMBL19421692 0.74 FLT3 (0.51) FLT3GRK2SLC2A1IDO1CYP11B1
SCHEMBL19953244 0.73 LOXL2 (0.46) ALDH1A1LOXL2
SCHEMBL4508334 0.71 HDAC1 (0.52) SLC2A1ALDH1A1IDO1CYP11B1CYP11B2
SCHEMBL2885662 0.70 CYP11B1 (0.67) ALDH1A1IDO1CYP11B1CYP11B2HDAC1
SCHEMBL4509302 0.69 IDO1 (0.58) GRK2ALDH1A1IDO1HDAC1HDAC6
SCHEMBL1867752 0.68 CYP11B1 (0.55) FLT3ALDH1A1NR1I2CYP11B1CYP11B2

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