SCHEMBL30301280

SCHEMBL30301280

CC(C)c1cc(C(C)(C)C)c(N)cc1N

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ ATP2A2 P16615 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ATP2A3 Q93084 1/20 0.31
▸ CYP26A1 O43174 1/20 0.30

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
SCHEMBL178100 1.00 POLB (0.32) POLBGAAGFERKDM4EALDH1A1
SCHEMBL23772061 0.89 POLB (0.33) POLBGAAGFERKDM4EALDH1A1
SCHEMBL117750 0.78 PTK2 (0.41) POLBGAAGFERALDH1A1CYP1A2
SCHEMBL560086 0.78 PTK2 (0.41) POLBGAAKDM4EALDH1A1CYP1A2
SCHEMBL21108652 0.77 ATM (0.33) CYP1A2
SCHEMBL2153631 0.75 ALDH1A1 (0.43) POLBGAAKDM4EALDH1A1CYP1A2
SCHEMBL832810 0.75 GAA (0.46) POLBGAAGFERALDH1A1CYP1A2
SCHEMBL23808926 0.72 TP53 (0.36) POLBALOX15
SCHEMBL17988488 0.71 POLB (0.46) POLBGAAGFERALDH1A1CYP1A2
SCHEMBL30301248 0.70 CYP3A4 (0.48) POLBKDM4EALDH1A1CYP1A2MAPT

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
EP-4402191-A1 ONE-POT PROCESS FOR THE PRODUCTION OF POLYCARBODIIMIDE CURED POLYMERS BASF SE (DE) 2024-07-24 — — EP disclosed
WO-2023041443-A1 ONE-POT PROCESS FOR THE PRODUCTION OF POLYCARBODIIMIDE CURED POLYMERS BASF SE (DE) 2023-03-23 — — WO disclosed
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