SCHEMBL10443451

SCHEMBL10443451

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

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.64
▸ PPARG P37231 10/20 0.57
▸ EDNRA P25101 1/20 0.56
▸ TSHR P16473 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ AGTR1 P30556 2/20 0.54
▸ AGTR2 P50052 2/20 0.54
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ RECQL P46063 1/20 0.50

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
SCHEMBL10443449 0.89 RAB9A (0.66) RAB9APPARGEDNRATSHRMAPK1
SCHEMBL10443492 0.86 TNF (0.67) RAB9APPARGEDNRALMNATP53
SCHEMBL8366932 0.83 RAB9A (0.76) RAB9ATSHRMAPK1AGTR1AGTR2
SCHEMBL10443037 0.82 ALDH1A1 (0.72) LMNATP53MAPTHTTSMN1; SMN2
SCHEMBL10443754 0.82 ALDH1A1 (0.49) RAB9APPARGAGTR1AGTR2LMNA
SCHEMBL10443533 0.82 LMNA (0.54) MAPK1MEN1KMT2ALMNATP53
SCHEMBL10443933 0.81 HDAC1 (0.57) RAB9ATSHRMEN1KMT2ALMNA
SCHEMBL8393405 0.81 PPARG (0.84) PPARGAGTR1AGTR2
SCHEMBL6361819 0.81 RAB9A (0.78) RAB9ATSHRMAPK1AGTR1AGTR2
SCHEMBL8366844 0.80 RAB9A (0.76) RAB9ATSHRMAPK1MEN1KMT2A

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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