SCHEMBL28972016

SCHEMBL28972016

NC(=O)OC1Cc2ccc(N)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
FABP7 O15540 1/20 0.38
FABP5 Q01469 1/20 0.38
NR1H2 P55055 1/20 0.38
BRD4 O60885 1/20 0.36
ATAD2 Q6PL18 1/20 0.36
MMP8 P22894 8/20 0.35
MMP3 P08254 4/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
GFER P55789 1/20 0.35

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
SCHEMBL29113484 0.87 BRD4 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6200513 0.85 ALDH1A1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7909110 0.82 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28445305 0.81 PNMT (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27689519 0.81 PNMT (0.40) HSD17B3
SCHEMBL30685660 0.80 IDO1 (0.54) FABP7FABP5IDO1CA1CA2
SCHEMBL28654763 0.78 PNMT (0.40)
SCHEMBL28448081 0.78 PNMT (0.43) KDM4EMAPTHSD17B10ALDH1A1HPGD
SCHEMBL27468308 0.77 BRD4 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28675469 0.76 PNMT (0.47) PSEN1PSEN2APH1BNCSTNAPH1A

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-115697995-A Aminopyrimidinamides 豪夫迈·罗氏有限公司 2023-02-03 CN disclosed