SCHEMBL17991992

SCHEMBL17991992

CN(C)N=Nc1ccc(-c2ccc(OS(=O)(=O)O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.49
▸ RAB9A P51151 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CA2 P00918 3/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ KIF11 P52732 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ CA12 O43570 2/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ ELANE P08246 1/20 0.33

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
SCHEMBL17992004 0.88 LMNA (0.54) LMNARAB9ANPC1MAPTALDH1A1
SCHEMBL17991993 0.87 LMNA (0.45) LMNARAB9ANPC1MAPTALDH1A1
SCHEMBL17991985 0.87 LMNA (0.45) LMNARAB9ANPC1MAPTALDH1A1
SCHEMBL17988686 0.87 MAPT (0.50) LMNARAB9ANPC1MAPTALDH1A1
SCHEMBL14699614 0.87 MAPT (0.50) LMNARAB9ANPC1MAPTALDH1A1
SCHEMBL17992015 0.83 LMNA (0.42) LMNARAB9ANPC1MAPTALDH1A1
SCHEMBL17991987 0.81 MAPT (0.43) LMNARAB9ANPC1MAPTALDH1A1
SCHEMBL17988721 0.78 ALDH1A1 (0.39) MAPTALDH1A1CYP1A2MEN1KMT2A
SCHEMBL17988693 0.77 PTGS2 (0.44) LMNARAB9ANPC1MAPTALDH1A1
SCHEMBL17991983 0.76 STS (0.53) LMNARAB9ANPC1MAPTALDH1A1

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
US-9409859-B2 Substituted diphenyl derivatives CREATIVE THERAPEUTICS GMBH (DE) 2016-08-09 — — US disclosed
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