SCHEMBL7594871

SCHEMBL7594871

C=CCc1ccc(C(=O)O)c(N)c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 2/20 0.39
▸ G6PD P11413 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ MAPT P10636 4/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ POLB P06746 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ PTGDR Q13258 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL8977896 0.85 TSHR (0.40) CASP6G6PDCASP7MAPTALDH1A1
SCHEMBL3092968 0.84 G6PD (0.50) CASP6G6PDCASP7MAPTALDH1A1
Hydrochloric Acid SCHEMBL28469617 0.83 G6PD (0.49) CASP6G6PDCASP7MAPTALDH1A1
SCHEMBL1567631 0.82 MAPT (0.45) MAPTALDH1A1POLBMEN1LMNA
SCHEMBL2852455 0.80 ALDH1A1 (0.53) CASP6CASP7MAPTALDH1A1POLB
SCHEMBL18280815 0.80 TSHR (0.33) ALDH1A1MAPK1GAACYP3A4KDM4E
SCHEMBL2925692 0.77 GABRP (0.50) CASP6G6PDCASP7MAPTALDH1A1
SCHEMBL28896783 0.76 SELL (0.48) MAPTALDH1A1POLBMEN1LMNA
SCHEMBL1349070 0.76 GAA (0.39) MAPTALDH1A1POLBKMT2ACYP1A2
SCHEMBL27835976 0.76 CYP1A2 (0.37) MAPTALDH1A1POLBKMT2ACYP1A2

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
EP-0841924-B1 BENZIMIDAZOLE COMPOUNDS UNIV NEWCASTLE VENTURES LTD (GB) 2002-10-02 — — EP claimed
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