SCHEMBL11019646

SCHEMBL11019646

CCCN(CCC)S(=O)(=O)c1ccc(-c2nc3ccc(C(=O)OC)cc3[nH]2)c(OCC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.47
▸ ATR Q13535 1/20 0.46
▸ ACR P10323 1/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ POLB P06746 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ F2 P00734 1/20 0.42
▸ F10 P00742 1/20 0.42
▸ PLG P00747 1/20 0.42
▸ PLAU P00749 1/20 0.42
▸ PLAT P00750 1/20 0.42
▸ SIRT2 Q8IXJ6 4/20 0.42
▸ SIRT1 Q96EB6 3/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ PKN1 Q16512 1/20 0.42
▸ PKN2 Q16513 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41

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
SCHEMBL11019640 0.93 MAPT (0.47) MAPTATRACRL3MBTL1POLB
SCHEMBL11018196 0.84 CHEK2 (0.51) MAPTL3MBTL1CHEK2PDE4APDE4B
SCHEMBL11018668 0.81 KDM4E (0.48) MAPTATRL3MBTL1NPC1TP53
SCHEMBL11020867 0.78 TP53 (0.51) MAPTATRL3MBTL1POLBNPC1
SCHEMBL11018192 0.77 MAPT (0.48) MAPTL3MBTL1TP53RAB9ATDP1
SCHEMBL11018781 0.77 ATR (0.52) ATRL3MBTL1F2F10PLG
SCHEMBL11018042 0.76 CHEK2 (0.48) MAPTL3MBTL1POLBNPC1TP53
SCHEMBL11021561 0.76 L3MBTL1 (0.47) MAPTATRACRL3MBTL1PKN1
SCHEMBL11017978 0.76 ALDH1A1 (0.49) MAPTATRL3MBTL1NPC1RAB9A
SCHEMBL11018637 0.73 ALDH1A1 (0.44) MAPTATRL3MBTL1POLBNPC1

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-0148431-A1 Benzimidazoles, their preparation, and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1985-07-17 — — EP disclosed
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