SCHEMBL29114964

SCHEMBL29114964

COc1ccc(CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.53
▸ LMNA P02545 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ GABRP O00591 1/20 0.50
▸ GABRD O14764 1/20 0.50
▸ GABRA1 P14867 1/20 0.50
▸ GABRB1 P18505 1/20 0.50
▸ GABRG2 P18507 1/20 0.50
▸ GABRB3 P28472 1/20 0.50
▸ GABRA5 P31644 1/20 0.50
▸ GABRA3 P34903 1/20 0.50
▸ GABRA2 P47869 1/20 0.50
▸ GABRB2 P47870 1/20 0.50
▸ GABRA4 P48169 1/20 0.50
▸ GABRE P78334 1/20 0.50
▸ GABRA6 Q16445 1/20 0.50
▸ GABRG1 Q8N1C3 1/20 0.50
▸ GABRG3 Q99928 1/20 0.50
▸ GABRQ Q9UN88 1/20 0.50

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
SCHEMBL29114946 0.86 SMN1; SMN2 (0.54) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL29115107 0.85 KMT2A (0.56) MAPTLMNAALDH1A1MAPK1MEN1
SCHEMBL29114956 0.84 PTPN1 (0.53) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL29114965 0.82 DYRK1A (0.51) MAPTMEN1KMT2ASMN1; SMN2DYRK1A
SCHEMBL30683706 0.80 LMNA (0.53) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL29114917 0.80 LMNA (0.53) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL29114968 0.79 SMN1; SMN2 (0.61) MAPTLMNAALDH1A1MAPK1MEN1
SCHEMBL29114941 0.78 POLB (0.50) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL1413988 0.77 DYRK1A (0.61) MAPTLMNAALDH1A1MAPK1MEN1
SCHEMBL9976032 0.75 MAPT (0.62) MAPTALDH1A1MAPK1MEN1KMT2A

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-117143019-A As beta 2 Pyrazole amide derivatives of allosteric antagonists of the adrenergic receptors 常州大学 2023-12-01 — — CN disclosed
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