SCHEMBL16510622

SCHEMBL16510622

COc1cc2cc(-c3cc(OC)c(OC)c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)[n+]3c(c2cc1OC)N(C)CC3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTDSP1 Q9GZU7 1/20 0.37
▸ NQO2 P16083 2/20 0.36
▸ FYN P06241 2/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ CASP1 P29466 1/20 0.35

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
SCHEMBL14927042 0.92 FYN (0.35) CTDSP1FYNMEN1ALDH1A1KMT2A
SCHEMBL14926995 0.89 PDE5A (0.35) FYNMEN1ALDH1A1KMT2APDE1A
SCHEMBL14904334 0.74 FYN (0.34) FYNMEN1ALDH1A1KMT2ATP53
SCHEMBL12072009 0.70 CTDSP1 (0.46) CTDSP1NQO2FYNMEN1ALDH1A1
SCHEMBL12070664 0.69 NQO2 (0.42) CTDSP1NQO2FYNMEN1KMT2A
SCHEMBL14930622 0.68 CTDSP1 (0.36) CTDSP1NQO2FYNALDH1A1KDM4E
SCHEMBL12070662 0.67 PTAFR (0.51) CTDSP1NQO2FYNMEN1ALDH1A1
SCHEMBL12075016 0.66 PDGFRB (0.73) FYNALDH1A1MAPTGLA
SCHEMBL13076579 0.65 KDM4E (0.42) CTDSP1MEN1ALDH1A1KMT2AKDM4E
SCHEMBL14930629 0.64 RAC1 (0.60) CTDSP1MEN1ALDH1A1KMT2AKDM4E

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-2011156626-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-15 — — WO disclosed
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