SCHEMBL17991987

SCHEMBL17991987

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ LMNA P02545 1/20 0.40
▸ PTGS2 P35354 7/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ CYP2D6 P10635 1/20 0.36
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34

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
SCHEMBL17988693 0.95 PTGS2 (0.44) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL17988694 0.85 LMNA (0.42) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL17988686 0.83 MAPT (0.50) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL14699614 0.83 MAPT (0.50) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL17991992 0.81 LMNA (0.49) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL17992004 0.79 LMNA (0.54) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL15399023 0.78 ESR1 (0.59) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL14506354 0.78 MAPT (0.46) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL17991993 0.78 LMNA (0.45) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL17991985 0.78 LMNA (0.45) MAPTALDH1A1KDM4ENPC1RAB9A

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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