SCHEMBL11017577

SCHEMBL11017577

C=CCOc1ccc(-c2nc3ccc(C(=O)O)cc3[nH]2)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 9/20 0.53
▸ LMNA P02545 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ TP53 P04637 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ TDP1 Q9NUW8 3/20 0.52
▸ POLB P06746 2/20 0.52
▸ PDE4A P27815 4/20 0.51
▸ PDE4B Q07343 4/20 0.51
▸ PDE4C Q08493 4/20 0.51
▸ PDE4D Q08499 4/20 0.51
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.45
▸ NR4A2 P43354 1/20 0.43

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
SCHEMBL11017574 0.92 NPSR1 (0.45) CHEK2LMNASMN1; SMN2NPSR1TP53
SCHEMBL11020833 0.91 CHEK2 (0.58) CHEK2LMNASMN1; SMN2NPSR1
SCHEMBL11019250 0.84 CHEK2 (0.53) CHEK2TP53MAPTTDP1POLB
SCHEMBL11020824 0.83 CHEK2 (0.48) CHEK2LMNASMN1; SMN2NPSR1
SCHEMBL11550692 0.81 LMNA (0.43) CHEK2LMNASMN1; SMN2NPSR1TP53
SCHEMBL20982494 0.81 CHEK2 (0.62) CHEK2SMN1; SMN2TP53MAPTTDP1
SCHEMBL10733296 0.79 PDE2A (0.46) LMNASMN1; SMN2NPSR1MAPT
SCHEMBL11016715 0.79 HPGD (0.43) LMNASMN1; SMN2NPSR1MAPTHDAC6
SCHEMBL12470518 0.78 POLB (0.54) CHEK2LMNANPSR1TP53MAPT
SCHEMBL9635925 0.78 PDE5A (0.47) LMNASMN1; SMN2NPSR1MAPTNPC1

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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