SCHEMBL29256804

SCHEMBL29256804

Cc1ncc([N+](=O)[O-])n1CCOC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.53
ALDH1A1 P00352 5/20 0.52
MAPT P10636 1/20 0.52
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
THRB P10828 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ATM Q13315 1/20 0.47
CDC20 Q12834 1/20 0.46
EGFR P00533 7/20 0.45
ERBB2 P04626 7/20 0.45
GUSB P08236 1/20 0.44
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL3466091 0.81 LMNA (0.52) GLAALDH1A1MAPTMEN1KMT2A
SCHEMBL30988951 0.79 LMNA (0.50) GLAALDH1A1MAPTMEN1KMT2A
SCHEMBL13963459 0.74 EPHX1 (0.55) ALDH1A1MAPTMEN1KMT2ATHRB
SCHEMBL3772284 0.73 GLA (0.73) GLAALDH1A1MAPTMEN1KMT2A
SCHEMBL9701605 0.72 GLA (0.76) GLAALDH1A1MAPTMEN1KMT2A
SCHEMBL677158 0.71 GLA (0.78) GLAALDH1A1MAPTMEN1KMT2A
SCHEMBL16151836 0.71 GLA (0.78) GLAALDH1A1MAPTMEN1KMT2A
SCHEMBL29196819 0.70 GLA (0.65) GLAALDH1A1MAPTMEN1KMT2A
Bamnidazole SCHEMBL635607 0.70 GLA (1.00) GLAALDH1A1MAPTMEN1KMT2A
SCHEMBL16516489 0.70 ALDH1A1 (0.46) GLAALDH1A1MAPTMEN1KMT2A

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-118344384-A Compounds and uses thereof 丹诺医药(苏州)有限公司 2024-07-16 CN disclosed