SCHEMBL29114968

SCHEMBL29114968

O=C(NCc1ccc2c(c1)OCO2)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ KMT2A Q03164 4/20 0.59
▸ MEN1 O00255 3/20 0.59
▸ ALDH1A1 P00352 4/20 0.58
▸ MAPT P10636 4/20 0.57
▸ POLB P06746 2/20 0.56
▸ HPGD P15428 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ FAAH O00519 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.51
▸ LMNA P02545 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49

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
SCHEMBL29114956 0.81 PTPN1 (0.53) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL29114965 0.81 DYRK1A (0.51) SMN1; SMN2KMT2AMEN1MAPTPOLB
SCHEMBL29114964 0.79 MAPT (0.53) SMN1; SMN2KMT2AMEN1ALDH1A1MAPT
SCHEMBL1040563 0.77 ALDH1A1 (0.73) SMN1; SMN2KMT2AMEN1ALDH1A1MAPT
SCHEMBL12443107 0.77 ALDH1A1 (0.81) SMN1; SMN2KMT2AMEN1ALDH1A1MAPT
SCHEMBL29114917 0.75 LMNA (0.53) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL29114941 0.75 POLB (0.50) SMN1; SMN2KMT2AMEN1ALDH1A1MAPT
SCHEMBL30683706 0.75 LMNA (0.53) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL15306501 0.75 KMT2A (1.00) SMN1; SMN2KMT2AMEN1ALDH1A1MAPT
SCHEMBL6940835 0.74 ALDH1A1 (0.69) SMN1; SMN2KMT2AMEN1ALDH1A1MAPT

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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