SCHEMBL2432452

SCHEMBL2432452

CCCc1ccccc1-[n+]1ccc(-c2cc[n+](-c3ccccc3CCC)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A2 O15244 1/20 0.34
▸ SLC22A1 O15245 1/20 0.34
▸ SLC22A3 O75751 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ LIPG Q9Y5X9 1/20 0.31
▸ ADRA2A P08913 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
SCHEMBL3352114 0.93 SLC22A2 (0.34) SLC22A2SLC22A1SLC22A3SLC6A4MAPT
SCHEMBL3352109 0.90 — —
SCHEMBL9008149 0.86 TP53 (0.34) TP53KDM4ELIPGADRA2AADRA2B
Hydrochloric Acid SCHEMBL2259177 0.77 ACP3 (0.34) —
SCHEMBL17996991 0.73 HTR2A (0.41) SLC22A2SLC22A1SLC22A3SLC6A4MEN1
SCHEMBL142479 0.71 ADRA2B (0.44) TP53KDM4ELIPGADRA2AADRA2B
SCHEMBL29488434 0.71 ADRA2B (0.44) TP53KDM4ELIPGADRA2AADRA2B
Benzene SCHEMBL11786397 0.69 KDM4E (0.44) TP53KDM4ELIPGADRA2AADRA2B
SCHEMBL9839840 0.69 ADRA2B (0.43) KDM4ELIPGADRA2AADRA2BADRA2C
SCHEMBL19888150 0.69 ACHE (0.44) SLC22A2SLC22A1SLC22A3SLC6A4CYP1A2

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
EP-2366127-A1 ELECTROCHROMIC OPTICAL ELEMENT HAVING AN APODIZED APERTURE PPG Industries Ohio, Inc. (US) 2011-09-21 — — EP disclosed
WO-2010065713-A1 ELECTROCHROMIC OPTICAL ELEMENT HAVING AN APODIZED APERTURE PPG INDUSTRIES OHIO, INC. (US) 2010-06-10 — — WO disclosed
Send feedback