SCHEMBL21753654

SCHEMBL21753654

Cn1cc([N+](=O)[O-])c(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 6/20 0.41
MITF O75030 3/20 0.40
PRMT1 Q99873 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAB9A P51151 2/20 0.37
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
POLB P06746 2/20 0.37
THRB P10828 1/20 0.37
HTT P42858 2/20 0.37
GSK3B P49841 1/20 0.37

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
SCHEMBL18138351 0.85 PRMT1 (0.36) L3MBTL1PRMT1CYP1A2ALDH1A1MEN1
SCHEMBL18131172 0.83 PRMT1 (0.36) L3MBTL1PRMT1CYP1A2ALDH1A1MEN1
SCHEMBL18138228 0.83 LMNA (0.37) L3MBTL1LMNAPRMT1ALDH1A1MEN1
SCHEMBL18138300 0.83 PRMT1 (0.35) L3MBTL1LMNAPRMT1CYP1A2CYP2C19
SCHEMBL18131303 0.82 PRMT1 (0.36) LMNAPRMT1CYP1A2CYP2C19ALDH1A1
SCHEMBL18138283 0.82 PRMT1 (0.34) L3MBTL1PRMT1ALDH1A1MEN1KMT2A
SCHEMBL18379692 0.81 HTT (0.41) L3MBTL1LMNAALDH1A1MEN1KMT2A
SCHEMBL18138290 0.81 IRAK4 (0.35) L3MBTL1LMNAPRMT1ALDH1A1SMN1; SMN2
SCHEMBL18138301 0.80 ALDH1A1 (0.35) L3MBTL1LMNAPRMT1ALDH1A1MEN1
SCHEMBL20555276 0.80 GSK3B (0.39) GSK3BDYRK1ANPSR1

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-110857300-B Condensed ring triazole compounds, preparation method and application 上海凌达生物医药有限公司 2021-11-05 CN disclosed
CN-109721600-B Nitrogen-containing fused ring compounds and preparation method and application thereof 上海凌达生物医药有限公司 2021-04-27 CN disclosed
CN-110857300-A Condensed ring triazole compounds, preparation method and application 如东凌达生物医药科技有限公司 2020-03-03 CN disclosed
WO-2020038458-A1 CLASS OF FUSED RING TRIAZOLE COMPOUND, PREPARATION METHOD, AND USE 如东凌达生物医药科技有限公司 2020-02-27 WO disclosed