SCHEMBL17988680

SCHEMBL17988680

CN(C)N=Nc1ccc(C(=O)c2ccc(O)cc2OS(=O)(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.42
▸ NPC1 O15118 5/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 5/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ LMNA P02545 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ CYP1A2 P05177 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ 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
SCHEMBL15398683 0.85 NPC1 (0.39) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL17988719 0.84 MAPT (0.45) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL17988681 0.81 SLC22A6 (0.44) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL14699614 0.77 MAPT (0.50) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL17988686 0.77 MAPT (0.50) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL17988664 0.76 CISD1 (0.43) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL15398853 0.75 LMNA (0.34) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL12817727 0.75 MAPT (0.55) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL14699619 0.75 MAPT (0.55) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL17991980 0.75 MAPT (0.48) MAPTNPC1RAB9AKMT2AALDH1A1

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