SCHEMBL925001

SCHEMBL925001

C[n+]1ccn(CCc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ APAF1 O14727 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ PLA2G1B P04054 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ ATG4B Q9Y4P1 1/20 0.46
▸ BCHE P06276 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ PON1 P27169 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ SLC6A3 Q01959 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
Hydrochloric Acid SCHEMBL8137482 0.98 KMT2A (0.45) KMT2ASMN1; SMN2MEN1APAF1NPC1
SCHEMBL869646 0.90 NPSR1 (0.51) KMT2ASMN1; SMN2MEN1APAF1NPC1
SCHEMBL12558221 0.88 NPSR1 (0.54) KMT2ASMN1; SMN2MEN1APAF1NPC1
Bromide SCHEMBL2835015 0.88 NPSR1 (0.54) KMT2ASMN1; SMN2MEN1APAF1NPC1
Hydrochloric Acid SCHEMBL1880315 0.88 NPSR1 (0.50) KMT2ASMN1; SMN2MEN1APAF1NPC1
SCHEMBL21314161 0.84 NPSR1 (0.46) KMT2ASMN1; SMN2MEN1APAF1NPC1
SCHEMBL2832102 0.84 NPSR1 (0.46) KMT2ASMN1; SMN2MEN1APAF1NPC1
SCHEMBL924656 0.83 BCHE (0.37) KMT2ASMN1; SMN2MEN1APAF1NPC1
SCHEMBL667065 0.81 PON1 (0.50) KMT2ASMN1; SMN2MEN1APAF1NPC1
SCHEMBL21314159 0.81 MAPT (0.43) KMT2ASMN1; SMN2MEN1APAF1NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8411347-B2 Composition comprising photochromic dyes in an ionic solvent ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2013-04-02 — — US disclosed
US-20110013252-A1 COMPOSITION COMPRISING PHOTOCHROMIC DYES IN AN IONIC SOLVENT Essilor International (compagnie Generale D'optiqu e (FR) 2011-01-20 — — US disclosed
EP-2252672-A2 COMPOSITION COMPRISING PHOTOCHROMIC DYES IN AN IONIC SOLVENT Essilor International (Compagnie Générale D'Optique) (FR) 2010-11-24 — — EP disclosed
WO-2009115721-A2 COMPOSITION COMPRISING PHOTOCHROMIC DYES IN AN IONIC SOLVENT ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2009-09-24 — — WO disclosed
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