SCHEMBL17992015

SCHEMBL17992015

CN(C)N=Nc1ccc(SOc2ccc(OS(=O)(=O)O)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.42
▸ NPC1 O15118 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ CYP1A2 P05177 1/20 0.34
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.31
▸ STS P08842 1/20 0.30
▸ PTGS2 P35354 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
SCHEMBL17991993 0.88 LMNA (0.45) LMNANPC1MAPTRAB9AKDM4E
SCHEMBL17991991 0.87 LMNA (0.49) LMNASTS
SCHEMBL17991992 0.83 LMNA (0.49) LMNANPC1MAPTRAB9AKDM4E
SCHEMBL17988722 0.81 ALDH1A1 (0.35) ALDH1A1CYP1A2GLAGAA
SCHEMBL17992004 0.81 LMNA (0.54) LMNANPC1MAPTRAB9AKDM4E
SCHEMBL17991985 0.80 LMNA (0.45) LMNANPC1MAPTRAB9AKDM4E
SCHEMBL17988686 0.80 MAPT (0.50) LMNANPC1MAPTRAB9AKDM4E
SCHEMBL14699614 0.80 MAPT (0.50) LMNANPC1MAPTRAB9AKDM4E
SCHEMBL17991987 0.74 MAPT (0.43) LMNANPC1MAPTRAB9AKDM4E
SCHEMBL17988693 0.71 PTGS2 (0.44) LMNANPC1MAPTRAB9AKDM4E

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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