SCHEMBL13190076

SCHEMBL13190076

O=C(O)c1ccc2c(c1)C[n+]1ccc(cc1)-c1cc[n+](cc1)Cc1ccccc1C[n+]1ccc(cc1)-c1cc[n+](cc1)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 5/20 0.51
SRD5A1 P18405 4/20 0.51
ALDH1A1 P00352 4/20 0.45
KMO O15229 1/20 0.42
EGFR P00533 1/20 0.39
TDP2 O95551 1/20 0.38
MCL1 Q07820 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
BLM P54132 1/20 0.37
GRM1 Q13255 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 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
SCHEMBL20618199 0.77 SLC22A2 (0.39) ALDH1A1
SCHEMBL6907637 0.72 SRD5A2 (0.76) SRD5A2SRD5A1ALDH1A1TDP2MEN1
SCHEMBL9477896 0.69 ALDH1A1 (0.83) SRD5A2SRD5A1ALDH1A1TDP2MEN1
SCHEMBL29460235 0.68 SRD5A2 (1.00) SRD5A2SRD5A1ALDH1A1KMT2ANPC1
SCHEMBL10081754 0.68 SRD5A2 (1.00) SRD5A2SRD5A1ALDH1A1KMT2ANPC1
SCHEMBL503767 0.68 SRD5A2 (1.00) SRD5A2SRD5A1ALDH1A1KMT2ANPC1
Hydrochloric Acid SCHEMBL10587733 0.68 ALDH1A1 (0.80) SRD5A2SRD5A1ALDH1A1TDP2MEN1
SCHEMBL6901141 0.66 SRD5A2 (0.66) SRD5A2SRD5A1ALDH1A1TDP2MEN1
SCHEMBL31069845 0.65 SRD5A2 (0.86) SRD5A2SRD5A1ALDH1A1TDP2KMT2A
SCHEMBL3105349 0.65 SRD5A2 (0.86) SRD5A2SRD5A1ALDH1A1TDP2KMT2A

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-2010099147-A1 ADVANCED ELECTRODE STRUCTURES AND ELECTROCHROMIC DEVICES NTERA INC. (US) 2010-09-02 WO disclosed