SCHEMBL13076925

SCHEMBL13076925

CC[n+]1ccc(-c2ccc(-c3cc[n+](CCP(C)(=O)O)cc3)o2)cc1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ CHKA P35790 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
SCHEMBL10002120 0.90 NQO2 (0.33) NQO2MEN1TP53CYP1A2CYP2D6
SCHEMBL9889761 0.76 MEN1 (0.41) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL29201320 0.74 MEN1 (0.40) MEN1TP53CYP1A2CYP2D6MAPT
Hydrochloric Acid SCHEMBL3364505 0.74 MEN1 (0.40) MEN1TP53CYP1A2CYP2D6MAPT
Hydrochloric Acid SCHEMBL3364608 0.69 MEN1 (0.46) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL10002121 0.68 ESR1 (0.33) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL2609279 0.67 CYP2C19 (0.38) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL14681038 0.67 CYP1A2 (0.43) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL1226951 0.66 MEN1 (0.39) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL12555727 0.65 NPC1 (0.36) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010126121-A1 ELECTROCHROMIC DISPLAY APPARATUS RICOH COMPANY, LTD. (JP) 2010-11-04 — — WO disclosed
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