SCHEMBL29200529

SCHEMBL29200529

NCCCC(=O)NCc1ccc(F)cc1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.81
HPGD P15428 3/20 0.71
HTT P42858 1/20 0.66
TPSAB1 Q15661 3/20 0.65
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
POLB P06746 2/20 0.57
ALDH1A1 P00352 1/20 0.55
RAB9A P51151 1/20 0.55
GAA P10253 1/20 0.54
KMT2A Q03164 2/20 0.54
TP53 P04637 1/20 0.54
FOLH1 Q04609 1/20 0.53
MEN1 O00255 1/20 0.53
PRSS1 P07477 1/20 0.53

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
SCHEMBL15678793 0.94 LMNA (0.76) LMNAHPGDHTTTPSAB1CA1
SCHEMBL14761562 0.85 LMNA (0.83) LMNAHPGDHTTTPSAB1POLB
SCHEMBL27892106 0.83 LMNA (0.87) LMNAHPGDHTTTPSAB1POLB
SCHEMBL12674422 0.83 LMNA (0.81) LMNAHPGDHTTTPSAB1POLB
SCHEMBL27892109 0.83 HTT (0.81) LMNAHPGDHTTTPSAB1POLB
SCHEMBL14679461 0.83 TPSAB1 (0.65) LMNAHPGDTPSAB1CA1CA2
SCHEMBL14816841 0.83 HPGD (1.00) LMNAHPGDHTTPOLBALDH1A1
SCHEMBL4436696 0.83 GAA (0.79) LMNAHTTTPSAB1CA1CA2
SCHEMBL34461910 0.83 HDAC3 (0.70) LMNAHPGDTPSAB1CA1CA2
SCHEMBL1274285 0.82 LMNA (0.68) LMNAHPGDHTTTPSAB1CA1

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
CN-117658992-A Benzimidazole compound, preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2024-03-08 CN disclosed