SCHEMBL10696332

SCHEMBL10696332

CC(=O)N(C)c1ccc2c(c1)N(C)C(=O)C2(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.41
▸ GAA P10253 2/20 0.40
▸ PKM P14618 2/20 0.40
▸ PDK2 Q15119 1/20 0.39
▸ MAPT P10636 3/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL2534824 0.89 GAA (0.48) POLBGAAPKMPDK2MAPT
SCHEMBL9201147 0.76 MAPT (0.43) POLBMAPTBRD4CREBBPMEN1
SCHEMBL3049271 0.73 PKM (0.48) POLBGAAPKMBRD4CREBBP
SCHEMBL9067055 0.73 SMN1; SMN2 (0.48) POLBGAAPDK2MAPTMEN1
SCHEMBL9755257 0.73 CRHBP (0.49) POLBPKMMAPTBRD4CREBBP
SCHEMBL9142318 0.73 LMNA (0.46) GAA
SCHEMBL16324768 0.71 MLYCD (0.38) POLBGAAPKMMAPTBRD4
SCHEMBL2490105 0.71 MPI (0.43) POLBGAAPKMMAPTMEN1
SCHEMBL13650312 0.70 MEN1 (0.40) POLBGAAPKMMAPTBRD4
SCHEMBL2144650 0.70 MEN1 (0.40) POLBBRD4CREBBPMEN1KMT2A

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-0268178-A1 Pyrrolo-benzimidazoles, medicaments containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-05-25 — — EP disclosed
EP-0266978-A2 Novel antibacterial agents and potentiators of carbapenem antibiotics MERCK & CO. INC. (US) 1988-05-11 — — EP disclosed
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