SCHEMBL29664530

SCHEMBL29664530

O=C(CCc1ccccc1)Nc1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.74
▸ ALDH1A1 P00352 7/20 0.69
▸ MEN1 O00255 6/20 0.69
▸ KMT2A Q03164 6/20 0.69
▸ MAPT P10636 4/20 0.69
▸ KDM4E B2RXH2 1/20 0.69
▸ MAPK1 P28482 1/20 0.69
▸ RAB9A P51151 5/20 0.65
▸ NPC1 O15118 2/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ GAA P10253 2/20 0.61
▸ POLB P06746 1/20 0.57
▸ THRB P10828 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL31675008 0.87 LMNA (0.77) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL12417226 0.84 LMNA (0.62) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL6716874 0.82 LMNA (0.67) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL15436046 0.82 KMT2A (0.62) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL29664350 0.81 ALDH1A1 (0.57) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL30878815 0.81 LMNA (0.60) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL27625364 0.80 LMNA (0.66) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL28443070 0.80 LMNA (0.79) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL7754151 0.80 LMNA (0.66) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL28897572 0.80 LMNA (0.79) LMNAALDH1A1MEN1KMT2AMAPT

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
WO-2022096679-A1 PROTEIN-PROTEIN INTERACTION MODULATORS OF AURORA KINASE A AND THEIR USE IN THE PREVENTION AND/OR TREATMENT OF CANCER EBERHARD KARLS UNIVERSITÄT TÜBINGEN (DE) 2022-05-12 — — WO disclosed
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