SCHEMBL22383438

SCHEMBL22383438

CC(C)(C)c1cncc(C2Nc3ccc(Oc4ccc5[nH]c(C(C)(C)C)nc5c4)cc3N2)c1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.32
▸ SCN10A Q9Y5Y9 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL12961102 0.76 SCN10A (0.46) KCNH2SCN10AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2733195 0.68 CYP1A2 (0.47) ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL846855 0.66 SCN10A (0.58) KCNH2SCN10AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL18659785 0.65 TRPV1 (0.50) KCNH2SCN10AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL7810443 0.62 KMT2A (0.45) L3MBTL1
SCHEMBL23619188 0.62 ALDH1A1 (0.47) KCNH2SCN10AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL15746214 0.62 SCN10A (0.56) KCNH2SCN10AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL14504040 0.60 SMN1; SMN2 (0.43) KCNH2SCN10AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL10005347 0.60 ALDH1A1 (0.46) KCNH2SCN10AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL10284433 0.60 KIF11 (0.47) KCNH2SCN10AALDH1A1SMN1; SMN2L3MBTL1

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-3703166-A1 METHOD FOR MECHANICAL STABILIZATION OF POLYBENZIMIDAZOLES AND ION-CONDUCTIVE MEMBRANES THEREFROM Zentrum Für Brennstoffzellen-technik GmbH (DE) 2020-09-02 — — EP disclosed
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