SCHEMBL29686830

SCHEMBL29686830

CCS(=O)(=O)Nc1cc(C)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 3/20 0.52
TSHR P16473 2/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 4/20 0.50
GRK6 P43250 2/20 0.45
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.41

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
SCHEMBL26122504 1.00 KAT2B (0.52) KAT2BTSHRCYP3A4MAPTGRK6
SCHEMBL29739994 0.83 MAPT (0.59) TSHRMAPTALDH1A1LMNAPKM
SCHEMBL26121230 0.83 MAPT (0.59) TSHRMAPTALDH1A1LMNAPKM
SCHEMBL6859176 0.83 ATM (0.49) MAPTALDH1A1LMNAPKM
SCHEMBL27183310 0.83 TSHR (0.53) KAT2BTSHRCYP3A4MAPTGRK6
SCHEMBL30873006 0.83 TSHR (0.53) KAT2BTSHRCYP3A4MAPTGRK6
SCHEMBL981242 0.79 KAT2B (0.64) KAT2BTSHRCYP3A4MAPTGRK6
SCHEMBL26118836 0.78 TSHR (0.47) KAT2BTSHRCYP3A4MAPTGRK6
SCHEMBL29686668 0.78 TSHR (0.47) KAT2BTSHRCYP3A4MAPTGRK6
SCHEMBL978709 0.76 TSHR (0.62) KAT2BTSHRCYP3A4MAPTGRK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283954-A Hydroxamate compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-06-23 CN disclosed
CN-114901656-B Hydroximic acid ester compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-04-07 CN disclosed
CN-114901656-A Hydroximic acid ester compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2022-08-12 CN disclosed
WO-2022117016-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 深圳微芯生物科技股份有限公司 2022-06-09 WO disclosed