SCHEMBL13077356

SCHEMBL13077356

CC[n+]1ccc(-c2cscc2-c2cc[n+](CCCO)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HTT P42858 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ BCHE P06276 8/20 0.32
▸ ACHE P22303 8/20 0.32
▸ TERT O14746 2/20 0.31
▸ APAF1 O14727 2/20 0.31

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
SCHEMBL2609281 0.79 MEN1 (0.62) MEN1KMT2AMAPTTP53CYP1A2
SCHEMBL10002121 0.78 ESR1 (0.33) MEN1KMT2AMAPTTP53CYP1A2
SCHEMBL13021354 0.78 MEN1 (0.48) MEN1KMT2AMAPTTP53CYP1A2
SCHEMBL3215924 0.70 KMT2A (0.72) MEN1KMT2AMAPTTP53CYP1A2
SCHEMBL3207497 0.69 KMT2A (0.83) MEN1KMT2AMAPTTP53CYP1A2
SCHEMBL1305882 0.69 MEN1 (0.54) MEN1KMT2AMAPTTP53CYP1A2
SCHEMBL2609280 0.68 MEN1 (0.61) MEN1KMT2AMAPTTP53CYP1A2
SCHEMBL2609284 0.68 MEN1 (0.61) MEN1KMT2AMAPTTP53CYP1A2
SCHEMBL14379640 0.67 MEN1 (0.55) MEN1KMT2AMAPTTP53CYP1A2
SCHEMBL13219287 0.67 CYP4A11 (0.42) TP53KDM4ELMNAESR1ACHE

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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