SCHEMBL14392880

SCHEMBL14392880

Cn1c2ccccc2c2cc(/C=C/c3cc[n+](CCS)cc3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40
▸ APH1A Q96BI3 1/20 0.40
▸ PSENEN Q9NZ42 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ APP P05067 2/20 0.39
▸ PTGER4 P35408 1/20 0.39

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
SCHEMBL10104210 0.86 GPR3 (0.40) GPR3MAPTKDM4EMEN1KMT2A
SCHEMBL14366792 0.82 GPR3 (0.61) GPR3MAPTKDM4EMEN1KMT2A
SCHEMBL28217032 0.80 GPR3 (0.55) GPR3MAPTKDM4EMEN1KMT2A
SCHEMBL12419783 0.79 GPR3 (0.57) GPR3MAPTKDM4EMEN1KMT2A
SCHEMBL17722994 0.75 IP6K1 (0.49) GPR3MAPTKDM4EMEN1KMT2A
SCHEMBL18102244 0.75 MAOA (0.54) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL14392967 0.74 BCHE (0.53) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL16183131 0.74 BCHE (0.53) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL12306232 0.74 KDM4E (0.58) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL18473305 0.74 KDM4E (0.58) MAPTKDM4EMEN1KMT2AALDH1A1

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
WO-2007110541-A2 DYEING COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT COLORANT COMPRISING A CONDENSED CYCLE, WITH AN INTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT L'OREAL (FR) 2007-10-04 — — WO disclosed
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