SCHEMBL14102451

SCHEMBL14102451

O=C1C2CC=CCC2C(=O)N1OS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.36
▸ AKR1B1 P15121 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ PKM P14618 2/20 0.36
▸ PKLR P30613 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL6744161 0.80 HTT (0.39) ALDH1A1AKR1B1POLBTDP1TSHR
SCHEMBL15082167 0.80 HTT (0.39) ALDH1A1AKR1B1POLBTDP1TSHR
SCHEMBL3870272 0.78 PARL (0.51) ALDH1A1AKR1B1MAPTPKMPKLR
SCHEMBL10231672 0.74 KMT2A (0.38) ALDH1A1AKR1B1MAPTPKMPKLR
SCHEMBL14509423 0.73 EPHX2 (0.46) ALDH1A1AKR1B1TSHRKDM4EHTR2A
SCHEMBL28292182 0.70 AKR1B1 (0.42) ALDH1A1AKR1B1MAPTPKMPKLR
SCHEMBL12332146 0.69 NPSR1 (0.41) ALDH1A1POLBCA12CA1CA2
SCHEMBL12333680 0.68 ALDH1A1 (0.39) ALDH1A1MAPTPOLBCA12CA1
SCHEMBL4831931 0.67 KMT2A (0.55) ALDH1A1MAPTPKMCA12CA9
SCHEMBL3738485 0.67 KCNH2 (0.43) ALDH1A1AKR1B1MAPTPOLBTSHR

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
EP-1959300-A1 Resist composition and pattern forming method using the same FUJIFILM Corporation (JP) 2008-08-20 — — EP disclosed
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