SCHEMBL13005229

SCHEMBL13005229

CCC(CC)c1ccc2[nH]c(/C=C/c3ccc(O)c(O)c3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.43
▸ KMT2A Q03164 7/20 0.43
▸ POLB P06746 3/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ GFER P55789 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ ALPL P05186 1/20 0.43
▸ ALPI P09923 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ NPC1 O15118 5/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ ATM Q13315 2/20 0.41
▸ MAPT P10636 4/20 0.40
▸ TP53 P04637 2/20 0.40
▸ LCK P06239 3/20 0.40
▸ KDM4E B2RXH2 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ PKM P14618 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 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
SCHEMBL12866157 0.79 MAPT (0.42) MEN1KMT2APOLBL3MBTL1GFER
SCHEMBL21851714 0.68 TDP1 (0.56) MEN1KMT2APOLBTDP1MAPT
SCHEMBL2465274 0.63 MAPT (0.65) MEN1KMT2ANPC1RAB9AATM
SCHEMBL2465275 0.63 MAPT (0.65) MEN1KMT2ANPC1RAB9AATM
Ethylene Glycol SCHEMBL9867036 0.63 KMT2A (0.53) MEN1KMT2APOLBALPLNPC1
SCHEMBL31706727 0.63 LCK (1.00) MEN1KMT2APOLBL3MBTL1GFER
SCHEMBL1824176 0.63 LCK (1.00) MEN1KMT2APOLBL3MBTL1GFER
SCHEMBL1824175 0.63 LCK (1.00) MEN1KMT2APOLBL3MBTL1GFER
SCHEMBL30631591 0.63 LCK (1.00) MEN1KMT2APOLBL3MBTL1GFER
SCHEMBL18130039 0.63 LCK (0.65) MEN1KMT2APOLBL3MBTL1GFER

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-7851701-B2 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-12-14 — — US disclosed
US-7851701-B2 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-12-14 — — US disclosed
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