SCHEMBL11020867

SCHEMBL11020867

CCCSc1ccc(-c2nc3ccc(C(=O)OC)cc3[nH]2)c(OCC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ CHEK2 O96017 3/20 0.45
▸ F2 P00734 1/20 0.45
▸ F10 P00742 1/20 0.45
▸ PLG P00747 1/20 0.45

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
SCHEMBL11020863 0.93 SMN1; SMN2 (0.44) TP53LMNAMEN1CYP1A2HPGD
SCHEMBL11019181 0.90 TP53 (0.55) TP53LMNAMEN1CYP1A2HPGD
SCHEMBL11019652 0.84 CHEK2 (0.52) LMNAL3MBTL1MAPTCHEK2F2
SCHEMBL11016890 0.83 CHEK2 (0.63) TP53LMNAMEN1CYP1A2HPGD
SCHEMBL11019173 0.83 POLB (0.47) TP53LMNAMEN1CYP1A2HPGD
SCHEMBL11017088 0.79 CHEK2 (0.47) TP53LMNAHPGDL3MBTL1NPC1
SCHEMBL11019907 0.79 CHEK2 (0.53) LMNAHPGDSMN1; SMN2L3MBTL1NPC1
SCHEMBL11019023 0.79 CHEK2 (0.48) TP53MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL11018042 0.79 CHEK2 (0.48) TP53LMNAHPGDSMN1; SMN2L3MBTL1
SCHEMBL11019646 0.78 MAPT (0.47) TP53LMNAL3MBTL1NPC1POLB

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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