SCHEMBL16383319

SCHEMBL16383319

COc1cc2cc(-c3cccc(-c4ccccc4)c3C)[n+](C)c(N(C)C)c2cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACA Q13085 1/20 0.38
▸ CD274 Q9NZQ7 6/20 0.36
▸ PDCD1 Q15116 3/20 0.36
▸ EGFR P00533 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ RAC1 P63000 2/20 0.34
▸ SQOR Q9Y6N5 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ WHR1 P49842 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ACHE P22303 1/20 0.33

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
SCHEMBL14930654 0.83 EGFR (0.39) ACACAEGFRMEN1KMT2ANPC1
SCHEMBL14926982 0.83 CD274 (0.45) CD274PDCD1
SCHEMBL16510442 0.82 SMN1; SMN2 (0.40) ACACAMEN1KMT2ANPC1RAB9A
SCHEMBL16510678 0.78 PDE10A (0.37) ACHE
SCHEMBL12070517 0.75 USP2 (0.44) ACACACD274PDCD1MEN1KMT2A
SCHEMBL14926990 0.73 PDE4A (0.38) —
SCHEMBL13334283 0.72 KDM4E (0.44) ACACAMEN1KMT2ANPC1RAB9A
SCHEMBL16510600 0.70 KDM4E (0.40) ACACAMEN1KMT2ARAC1LMNA
SCHEMBL14927012 0.70 HTT (0.38) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL13076590 0.70 ALDH1A1 (0.41) ACACAEGFRMEN1KMT2ANPC1

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
US-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 — — US disclosed
WO-2011156626-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-15 — — WO disclosed
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