SCHEMBL29463255

SCHEMBL29463255

CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2n1CCOC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MAPT P10636 1/20 0.50
NOD2 Q9HC29 2/20 0.49
NOD1 Q9Y239 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
ELANE P08246 2/20 0.44
CCR2 P41597 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
TP53 P04637 1/20 0.42
AR P10275 1/20 0.42
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
F2 P00734 1/20 0.42
PLAU P00749 1/20 0.42

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
SCHEMBL23045605 1.00 KMT2A (0.50) KMT2AMAPTNOD2NOD1SMN1; SMN2
SCHEMBL23045545 0.94 MAPT (0.48) KMT2AMAPTNOD2NOD1SMN1; SMN2
SCHEMBL29463225 0.94 MAPT (0.48) KMT2AMAPTNOD2NOD1SMN1; SMN2
SCHEMBL5889460 0.90 MAPT (0.53) KMT2AMAPTNOD2NOD1SMN1; SMN2
SCHEMBL23045560 0.89 NOD2 (0.51) KMT2AMAPTNOD2NOD1SMN1; SMN2
SCHEMBL29463226 0.89 NOD2 (0.51) KMT2AMAPTNOD2NOD1SMN1; SMN2
SCHEMBL23045520 0.88 MAPT (0.51) KMT2AMAPTNOD2NOD1SMN1; SMN2
SCHEMBL31383538 0.88 MAPT (0.51) KMT2AMAPTNOD2NOD1SMN1; SMN2
SCHEMBL16732758 0.88 MAPT (0.54) KMT2AMAPTNOD2NOD1SMN1; SMN2
SCHEMBL4196083 0.87 NOD2 (0.54) KMT2AMAPTNOD2NOD1SMN1; SMN2

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-114302874-B Indole carboxamide derivatives and pharmaceutical compositions containing the same 国际药品株式会社 2025-02-25 CN disclosed
CN-114302874-A Indole carboxamide derivatives and pharmaceutical compositions comprising same 国际药品株式会社 2022-04-08 CN disclosed