SCHEMBL26460127

SCHEMBL26460127

C=Cc1ccc(C[N+](CCCC)(CCCC)CCCCCCCCCC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMD14 O00487 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MC4R P32245 1/20 0.43
▸ RAD52 P43351 1/20 0.43
▸ DNM1 Q05193 2/20 0.42
▸ KCNH2 Q12809 3/20 0.42
▸ SLC22A1 O15245 2/20 0.42
▸ TP53 P04637 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ALOX12 P18054 1/20 0.41

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
Hydrochloric Acid SCHEMBL28644851 0.97 PSMD14 (0.46) PSMD14HSP90AA1MMP2MC4RRAD52
Hydrochloric Acid SCHEMBL25369277 0.97 PSMD14 (0.46) PSMD14HSP90AA1MMP2MC4RRAD52
SCHEMBL18256109 0.97 PSMD14 (0.41) PSMD14HSP90AA1MMP2MC4RRAD52
Hydrochloric Acid SCHEMBL18256178 0.95 PSMD14 (0.44) PSMD14HSP90AA1MMP2MC4RRAD52
SCHEMBL1629035 0.95 CHRNA7 (0.42) PSMD14HSP90AA1MMP2MC4RRAD52
Hydrochloric Acid SCHEMBL2791842 0.93 CHRNA7 (0.41) PSMD14HSP90AA1MMP2MC4RRAD52
SCHEMBL26460073 0.90 CHRNA7 (0.49) PSMD14HSP90AA1MMP2MC4RRAD52
SCHEMBL788817 0.89 CHRNA7 (0.39) PSMD14HSP90AA1MMP2MC4RRAD52
SCHEMBL19873339 0.89 CHRNA7 (0.39) PSMD14HSP90AA1MMP2MC4RRAD52
SCHEMBL26460075 0.89 CHRNA7 (0.47) PSMD14HSP90AA1MMP2MC4RRAD52

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-2023068585-A1 ANTIBACTERIAL COMPOSITION 주식회사 엘지화학 2023-04-27 — — WO disclosed
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