SCHEMBL10443533

SCHEMBL10443533

[C]c1ccccc1-c1ccc(Cn2c(SCC)nc3ccccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.54
▸ MAPT P10636 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ TP53 P04637 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ HPGD P15428 1/20 0.52
▸ DRD2 P14416 7/20 0.51
▸ TBXA2R P21731 5/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ MAPK1 P28482 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL10443531 0.89 LMNA (0.55) LMNAMAPTSMN1; SMN2TP53HTT
SCHEMBL10443492 0.83 TNF (0.67) LMNASMN1; SMN2TP53HTTL3MBTL1
SCHEMBL8391300 0.82 PPARG (0.69) ALDH1A1
SCHEMBL10443451 0.82 RAB9A (0.64) LMNAMAPTSMN1; SMN2TP53HTT
SCHEMBL9040448 0.80 SMN1; SMN2 (0.56) LMNASMN1; SMN2TP53HPGDDRD2
SCHEMBL10443754 0.79 ALDH1A1 (0.49) LMNASMN1; SMN2TP53HTTL3MBTL1
SCHEMBL10443037 0.79 ALDH1A1 (0.72) LMNAMAPTSMN1; SMN2TP53HTT
SCHEMBL10443933 0.79 HDAC1 (0.57) LMNAMAPTSMN1; SMN2TP53HTT
SCHEMBL8393289 0.78 PPARG (0.52) TP53DRD2TBXA2RL3MBTL1NPC1
SCHEMBL9041639 0.77 SMN1; SMN2 (0.52) LMNAMAPTSMN1; SMN2HPGDDRD2

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-0392317-A2 Benzimidazoles, drugs containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-10-17 — — EP disclosed
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