SCHEMBL17988694

SCHEMBL17988694

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.42
▸ STS P08842 11/20 0.40
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ CA2 P00918 3/20 0.36
▸ CA9 Q16790 3/20 0.36
▸ CYP2D6 P10635 1/20 0.36

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
SCHEMBL17991987 0.85 MAPT (0.43) LMNAMAPTALDH1A1KDM4EHPGD
SCHEMBL17988693 0.81 PTGS2 (0.44) LMNAMAPTALDH1A1KDM4EHPGD
SCHEMBL15398648 0.80 STS (0.64) LMNASTSMAPTALDH1A1NPC1
SCHEMBL15399203 0.74 LMNA (0.62) LMNASTSMAPTALDH1A1KDM4E
SCHEMBL15399023 0.74 ESR1 (0.59) LMNAMAPTALDH1A1KDM4EHPGD
SCHEMBL14506354 0.74 MAPT (0.46) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL14506337 0.72 MAPT (0.42) LMNAMAPTALDH1A1KDM4EHPGD
SCHEMBL12490830 0.71 LMNA (0.54) LMNASTSMAPTCA2CA9
SCHEMBL17991991 0.70 LMNA (0.49) LMNASTSCA2CA9
SCHEMBL17988683 0.69 STS (0.66) LMNASTSMAPTALDH1A1NPC1

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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