SCHEMBL28679353

SCHEMBL28679353

CC(C)(C)OC(=O)c1nc2cc([N+](=O)[O-])ccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 5/20 0.41
MEN1 O00255 2/20 0.41
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA1 P14867 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRA6 Q16445 1/20 0.39
F2 P00734 1/20 0.39
PLAU P00749 1/20 0.39
KLKB1 P03952 1/20 0.39
ELANE P08246 1/20 0.39
CTRB1 P17538 1/20 0.39
GNRHR P30968 1/20 0.39
PKM P14618 2/20 0.38
BRD4 O60885 1/20 0.38

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
SCHEMBL25736837 0.85 MAPT (0.44) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL28681187 0.81 GABRG2 (0.41) MAPTALDH1A1GABRG2GABRB3GABRA5
SCHEMBL28808278 0.79 MAPT (0.44) MAPTALDH1A1LMNAGABRG2GABRB3
SCHEMBL29780834 0.79 MAPT (0.44) MAPTALDH1A1LMNAGABRG2GABRB3
SCHEMBL2340371 0.77 L3MBTL1 (0.45) MAPTALDH1A1KMT2AMEN1PKM
SCHEMBL5446082 0.76 MAPT (0.46) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL29540947 0.76 MAPT (0.46) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL15208411 0.75 ALDH1A1 (0.48) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL840482 0.74 MAPT (0.47) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL28808282 0.74 CCR2 (0.47) MAPTALDH1A1LMNAKMT2AMEN1

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-113943259-A Amino acid derivative, preparation method and application thereof 西安禾渼生物医药有限公司 2022-01-18 CN disclosed