SCHEMBL9130814

SCHEMBL9130814

O=[N+]([O-])c1cc2c(cc1OCC(F)(F)F)OCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ MCL1 Q07820 1/20 0.49
▸ TDP1 Q9NUW8 2/20 0.42
▸ SRC P12931 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ TXNRD1 Q16881 1/20 0.40
▸ TXNRD3 Q86VQ6 1/20 0.40
▸ TXNRD2 Q9NNW7 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL9615856 0.81 ALDH1A1 (0.48) MAPTMEN1KMT2AL3MBTL1TDP1
SCHEMBL11697163 0.81 MAPT (0.53) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL24534294 0.79 MAPT (0.48) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL29680783 0.79 MAPT (0.48) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL3022688 0.79 ALDH1A1 (0.57) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL10481235 0.78 MAPT (0.50) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL8781108 0.76 ALDH1A1 (0.55) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL32681480 0.76 PTGES (0.42) MAPTMEN1KMT2AL3MBTL1TDP1
SCHEMBL19030482 0.76 IRAK4 (0.44) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL27195625 0.75 MAPT (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5478359-A Applying a hair dyes L'OREAL (FR) 1995-12-26 — — US disclosed
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
Send feedback