SCHEMBL10481235

SCHEMBL10481235

O=[N+]([O-])c1cc2c(cc1OCCO)OCO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ MCL1 Q07820 1/20 0.50
▸ SRC P12931 1/20 0.46
▸ TDP1 Q9NUW8 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ TXNRD1 Q16881 1/20 0.41
▸ TXNRD3 Q86VQ6 1/20 0.41

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
SCHEMBL6968157 0.82 ALDH1A1 (0.44) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL7341085 0.82 ALDH1A1 (0.44) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL11697163 0.82 MAPT (0.53) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL10884859 0.81 TSHR (0.48) MAPTMEN1KMT2ATDP1NPC1
SCHEMBL9130814 0.78 MAPT (0.49) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL27195625 0.76 MAPT (0.57) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL3022688 0.76 ALDH1A1 (0.57) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL10036508 0.76 MEN1 (0.41) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL1527926 0.76 MAPT (0.53) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL12047595 0.75 PRSS1 (0.46) MAPTMEN1KMT2AL3MBTL1POLB

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
US-4865617-A Dyeing compositions for keratinous fibres, especially for human hair, containing oxidation dye precursors and heterocyclic couplers L'OREAL (FR) 1989-09-12 — — US disclosed
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