SCHEMBL31451790

SCHEMBL31451790

COC(=O)c1cc(OCc2ccc(Cl)cc2)ccc1N

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
HSD17B10 Q99714 1/20 0.57
MAOB P27338 7/20 0.56
MAOA P21397 5/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
ABL1 P00519 1/20 0.51
NR4A2 P43354 2/20 0.49
CYP3A4 P08684 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL136203 0.86 ALDH1A1 (0.56) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL31451980 0.85 MAOB (0.55) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL7910646 0.84 MAOB (0.63) KDM4EGAAMAPTMAOBMAOA
SCHEMBL7911129 0.84 MAOB (0.75) MAPTMAOBMAOANPC1RAB9A
SCHEMBL31451837 0.84 CFTR (0.54) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL22762336 0.82 MAPT (0.55) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL31451933 0.82 MAOA (0.57) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL17530348 0.82 BRAF (0.58) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL31452001 0.82 ALDH1A1 (0.54) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL31451802 0.81 MAOB (0.54) KDM4EALDH1A1GAAMAPTHPGD

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