SCHEMBL12905322

SCHEMBL12905322

C[n+]1ccc(-c2cc[n+](CCCP(=O)(O)O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ SLC22A2 O15244 1/20 0.39
▸ SLC22A1 O15245 1/20 0.39
▸ SLC22A3 O75751 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ QDPR P09417 2/20 0.37
▸ TYMS P04818 1/20 0.37

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
SCHEMBL22953514 0.93 MEN1 (0.49) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL22953518 0.93 MEN1 (0.49) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL14681047 0.91 MEN1 (0.45) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL13974630 0.89 SLC6A4 (0.42) MEN1TP53CYP1A2CYP2D6MAPT
Bromide SCHEMBL31354579 0.89 MEN1 (0.44) MEN1TP53CYP1A2CYP2D6MAPT
Bromide SCHEMBL2462794 0.88 SLC6A4 (0.41) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL14681038 0.86 CYP1A2 (0.43) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL22953510 0.86 MEN1 (0.50) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL22953516 0.86 MEN1 (0.50) MEN1TP53CYP1A2CYP2D6MAPT
Hydrochloric Acid SCHEMBL3364608 0.85 MEN1 (0.46) MEN1TP53CYP1A2CYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8437067-B2 Electrochemical display element KONICA MINOLTA HOLDINGS, INC. (JP) 2013-05-07 — — US disclosed
US-20110019265-A1 DISPLAY ELEMENT AND METHOD OF FORMING POROUS LAYER IN DISPLAY ELEMENT KONICA MINOLTA HOLDINGS, INC. (JP) 2011-01-27 — — US disclosed
US-20110013261-A1 ELECTROCHEMICAL DISPLAY ELEMENT KONICA MINOLTA HOLDINGS, INC. (JP) 2011-01-20 — — US disclosed
US-7619803-B2 Electrochromic display element and full-color electrochromic display element KONICA MINOLTA HOLDINGS, INC. (JP) 2009-11-17 — — US disclosed
US-20090027757-A1 ELECTROCHROMIC DISPLAY ELEMENT AND FULL-COLOR ELECTROCHROMIC DISPLAY ELEMENT KONICA MINOLTA HOLDINGS, INC. (JP) 2009-01-29 — — US disclosed
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