SCHEMBL27214679

SCHEMBL27214679

C=C(C)C(=O)NC(N)Cc1ccc2c(C)cc(=O)oc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 5/20 0.49
▸ CA1 P00915 4/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA5A P35218 1/20 0.49
▸ CA12 O43570 4/20 0.47
▸ ALDH1A1 P00352 11/20 0.44
▸ KDM4E B2RXH2 9/20 0.44
▸ GLA P06280 4/20 0.44
▸ GAA P10253 4/20 0.44
▸ IGLV6-57 P01721 1/20 0.44
▸ HPGD P15428 9/20 0.44
▸ HSD17B10 Q99714 6/20 0.44
▸ CASP1 P29466 2/20 0.44
▸ CASP7 P55210 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ AKR1B1 P15121 1/20 0.44
▸ UGT1A1 P22309 1/20 0.44
▸ MAOB P27338 1/20 0.44

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
SCHEMBL27214680 0.84 CA9 (0.49) CA9CA1CA2CA5ACA12
SCHEMBL27214686 0.80 CA9 (0.49) CA9CA1CA2CA5ACA12
SCHEMBL3245747 0.80 CA9 (0.56) CA9CA1CA2CA5ACA12
SCHEMBL27231058 0.75 ALDH1A1 (0.63) ALDH1A1KDM4EGLAGAAIGLV6-57
SCHEMBL7915781 0.73 CA12 (0.75) CA9CA1CA2CA12ALDH1A1
SCHEMBL30862484 0.73 CA12 (0.75) CA9CA1CA2CA12ALDH1A1
SCHEMBL25283723 0.72 CA9 (0.56) CA9CA1CA2CA5ACA12
SCHEMBL8515319 0.72 CA9 (0.62) CA9CA1CA2CA5ACA12
SCHEMBL17358708 0.71 CA9 (0.64) CA9CA1CA2CA5ACA12
SCHEMBL27230974 0.70 CA9 (0.49) CA9CA1CA2CA5ACA12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024081563-A1 PHOTO-SWITCHABLE CHEMISTRY FOR REVERSIBLE HYDROGELS AND REUSABLE FLOW CELLS ILLUMINA, INC. (US) 2024-04-18 — — WO claimed
US-20240150508-A1 PHOTO-SWITCHABLE CHEMISTRY FOR REVERSIBLE HYDROGELS AND REUSABLE FLOW CELLS ILLUMINA, INC. (US) 2024-05-09 — — US disclosed
WO-2024081563-A1 PHOTO-SWITCHABLE CHEMISTRY FOR REVERSIBLE HYDROGELS AND REUSABLE FLOW CELLS ILLUMINA, INC. (US) 2024-04-18 — — WO disclosed
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