SCHEMBL11016715

SCHEMBL11016715

C=CCOc1ccc(-c2nc3cc(C(=O)NCCC)ccc3[nH]2)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.43
▸ CHRNB2 P17787 2/20 0.43
▸ CHRNB4 P30926 2/20 0.43
▸ CHRNA3 P32297 2/20 0.43
▸ CHRNA4 P43681 2/20 0.43
▸ KDM4E B2RXH2 4/20 0.42
▸ LMNA P02545 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ GAA P10253 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ALPL P05186 1/20 0.41
▸ FLT3 P36888 2/20 0.40
▸ APLNR P35414 1/20 0.39
▸ HDAC3 O15379 2/20 0.39

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 0.86 NPSR1 (0.45) HPGDKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL11020824 0.86 CHEK2 (0.48) LMNASMN1; SMN2NPSR1
SCHEMBL11017577 0.79 CHEK2 (0.53) LMNASMN1; SMN2NPSR1MAPTHDAC6
SCHEMBL11018423 0.79 AMY1A (0.47) LMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL11020833 0.78 CHEK2 (0.58) LMNASMN1; SMN2NPSR1
SCHEMBL5651447 0.76 FLT3 (0.62) LMNAMAPTFLT3HDAC3HDAC1
SCHEMBL11020057 0.75 CHEK2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4CYP1A2
SCHEMBL5651251 0.75 PRMT5 (0.50) HPGDKDM4ELMNAALDH1A1GAA
SCHEMBL9635925 0.75 PDE5A (0.47) HPGDKDM4ELMNAALDH1A1GAA
SCHEMBL10733296 0.74 PDE2A (0.46) HPGDKDM4ELMNAALDH1A1GAA

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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