SCHEMBL30539428

SCHEMBL30539428

CCOC(=O)c1ccccc1NC(=O)c1ccc(C)cc1N

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.60
▸ TSHR P16473 4/20 0.60
▸ NPSR1 Q6W5P4 3/20 0.60
▸ LMNA P02545 3/20 0.60
▸ KDM4E B2RXH2 5/20 0.59
▸ HSD17B10 Q99714 5/20 0.59
▸ TDP1 Q9NUW8 2/20 0.58
▸ TP53 P04637 2/20 0.58
▸ HTT P42858 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ POLB P06746 3/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ MAPT P10636 1/20 0.54
▸ CDC25B P30305 2/20 0.53
▸ HPGD P15428 1/20 0.52
▸ MAPK1 P28482 1/20 0.52

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
SCHEMBL14855618 0.88 HSD17B10 (0.69) ALDH1A1TSHRNPSR1LMNAKDM4E
SCHEMBL15183766 0.88 ALDH1A1 (0.58) ALDH1A1TSHRNPSR1LMNAKDM4E
SCHEMBL3687067 0.81 ALDH1A1 (0.64) ALDH1A1TSHRLMNAKDM4EHSD17B10
SCHEMBL23796612 0.79 TSHR (0.66) ALDH1A1TSHRNPSR1LMNAKDM4E
SCHEMBL30032929 0.79 TSHR (0.66) ALDH1A1TSHRNPSR1LMNAKDM4E
SCHEMBL14855710 0.79 KDM4E (0.71) ALDH1A1TSHRNPSR1LMNAKDM4E
SCHEMBL31175303 0.78 TSHR (0.64) ALDH1A1TSHRNPSR1LMNAKDM4E
SCHEMBL2860044 0.78 KDM4E (0.68) ALDH1A1TSHRNPSR1LMNAKDM4E
SCHEMBL31126834 0.78 KDM4E (0.68) ALDH1A1TSHRNPSR1LMNAKDM4E
SCHEMBL10438008 0.78 KDM4E (0.68) ALDH1A1TSHRNPSR1LMNAKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116693416-B Aryloxy aminobenzoic acid derivative, and preparation method and application thereof 桂林医学院 2025-01-07 — — CN disclosed
CN-116693416-A Aryloxy aminobenzoic acid derivative, and preparation method and application thereof 桂林医学院 2023-09-05 — — CN disclosed
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