SCHEMBL24283601

SCHEMBL24283601

COC(=O)c1cc(C(=O)/C=C/N(C)C)n2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 7/20 0.52
▸ FNTB P49356 7/20 0.52
▸ TP53 P04637 3/20 0.43
▸ MAPT P10636 9/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ USP2 O75604 1/20 0.43
▸ RECQL P46063 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ LMNA P02545 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ THRB P10828 1/20 0.40
▸ PPARG P37231 2/20 0.40
▸ NCOR2 Q9Y618 2/20 0.40

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
SCHEMBL24304134 0.79 TP53 (0.63) FNTAFNTBTP53MAPTMEN1
SCHEMBL1955351 0.74 RECQL (0.54) MAPTKMT2ARECQLALDH1A1LMNA
SCHEMBL1955354 0.74 RECQL (0.54) MAPTKMT2ARECQLALDH1A1LMNA
SCHEMBL21354384 0.71 NR4A2 (0.40) MAPTMEN1KMT2AUSP2ALDH1A1
SCHEMBL21354382 0.71 NR4A2 (0.40) MAPTMEN1KMT2AUSP2ALDH1A1
SCHEMBL9748440 0.71 HTR3A (0.49) MEN1KMT2AALDH1A1
SCHEMBL3546699 0.68 NPC1 (0.49) TP53MAPTMEN1KMT2ARECQL
SCHEMBL3546695 0.68 NPC1 (0.49) TP53MAPTMEN1KMT2ARECQL
SCHEMBL8173738 0.67 GABRA1 (0.56) MAPTMEN1KMT2AUSP2RECQL
SCHEMBL25337533 0.67 MAPT (0.45) MAPTMEN1KMT2ARECQLALDH1A1

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
WO-2022079246-A1 NLRP3 ACTIVATORS FOR USE IN THE TREATMENT OF INFECTIOUS DISEASES OR CANCER BY ACTIVATING NLRP3 INFLAMMASOME ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2022-04-21 — — WO disclosed
EP-3984535-A1 NLRP3 ACTIVATORS FOR USE IN THE TREATMENT OF INFECTIOUS DISEASES OR CANCER BY ACTIVATING NLRP3 INFLAMMASOME Albert-Ludwigs-Universität Freiburg (DE) 2022-04-20 — — EP disclosed
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