SCHEMBL25786455

SCHEMBL25786455

COc1ccccc1C(C)Nc1ccc(C)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ACHE P22303 1/20 0.44
SOS1 Q07889 6/20 0.42
P2RX3 P56373 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KRAS P01116 4/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
EGFR P00533 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
JAK2 O60674 1/20 0.38
PTK2 Q05397 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL20169405 0.84 SLC6A2 (0.37) CA1CA2ACHESOS1ALDH1A1
SCHEMBL10933460 0.79 CA1 (0.53) CA1CA2ACHEALDH1A1SMN1; SMN2
SCHEMBL26698513 0.78 KDM4E (0.54) ALDH1A1
SCHEMBL25786453 0.76 ALDH1A1 (0.50) CA1CA2ACHEALDH1A1SLC6A4
SCHEMBL12697206 0.73 TDP1 (0.43) ALDH1A1SMN1; SMN2ALOX12
SCHEMBL3054988 0.72 CA1 (0.46) CA1CA2ACHESOS1ALDH1A1
SCHEMBL15223665 0.70 NPSR1 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL2401390 0.69 CYP2D6 (0.61) CA1CA2ACHEALDH1A1SLC6A4
SCHEMBL19286309 0.69 CA1 (0.58) CA1CA2ACHEALDH1A1SLC6A4
SCHEMBL20376231 0.69 CYP2D6 (0.61) CA1CA2ACHEALDH1A1SLC6A4

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-2023122298-A1 PROTEIN STABILIZING COMPOUNDS CONTAINING USP28 AND/OR USP25 TARGETING LIGANDS Stablix, Inc. (US) 2023-06-29 WO disclosed