SCHEMBL31452001

SCHEMBL31452001

COC(=O)c1cc(OCc2cc(F)cc(F)c2)ccc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
HSD17B10 Q99714 2/20 0.54
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
GSK3B P49841 2/20 0.49
BACE1 P56817 2/20 0.49
MAOB P27338 6/20 0.48
MAOA P21397 3/20 0.48
MRGPRX4 Q96LA9 1/20 0.47
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP14 P50281 1/20 0.44
ADAM17 P78536 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
ACHE P22303 1/20 0.43
CFTR P13569 1/20 0.42

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
SCHEMBL31451802 0.88 MAOB (0.54) ALDH1A1HSD17B10KDM4EGAAMAPT
SCHEMBL31451980 0.85 MAOB (0.55) ALDH1A1HSD17B10KDM4EGAAMAPT
SCHEMBL136203 0.84 ALDH1A1 (0.56) ALDH1A1HSD17B10KDM4EGAAMAPT
SCHEMBL31451856 0.82 GSK3B (0.47) KDM4EGAAGSK3BBACE1MAOB
SCHEMBL31451790 0.82 KDM4E (0.57) ALDH1A1HSD17B10KDM4EGAAMAPT
SCHEMBL31451837 0.81 CFTR (0.54) ALDH1A1HSD17B10KDM4EGAAMAPT
SCHEMBL31451783 0.80 KDM4E (0.51) ALDH1A1HSD17B10KDM4EGAAMAPT
SCHEMBL22762336 0.80 MAPT (0.55) ALDH1A1HSD17B10KDM4EGAAMAPT
SCHEMBL13740239 0.79 ALDH1A1 (0.59) ALDH1A1HSD17B10KDM4EGAAMAPT
SCHEMBL100519 0.77 KDM4E (0.54) ALDH1A1HSD17B10KDM4EGAAMAPT

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-2025053222-A1 NOVEL ANTHRANILIC ACID-BASED COMPOUNDS, PIN 1 INHIBITOR, THERAPEUTIC AGENT, AND PREVENTIVE AGENT FOR INFECTIOUS DISEASES, ETC. USING SAME 岡部 隆義 2025-03-13 WO disclosed