SCHEMBL26258287

SCHEMBL26258287

NS(=O)(=O)c1nnc(NC(=O)CCCCC(=O)NCCCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCCCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)s1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 9/20 0.54
▸ ALB P02768 1/20 0.54
▸ CA1 P00915 9/20 0.49
▸ CA2 P00918 9/20 0.49
▸ FOLH1 Q04609 3/20 0.48
▸ CA12 O43570 4/20 0.46
▸ CA3 P07451 4/20 0.46
▸ CA4 P22748 4/20 0.46
▸ CA6 P23280 4/20 0.46
▸ CA5A P35218 4/20 0.46
▸ CA7 P43166 4/20 0.46
▸ CA13 Q8N1Q1 4/20 0.46
▸ CA14 Q9ULX7 4/20 0.46
▸ CA5B Q9Y2D0 4/20 0.46
▸ GRIA1 P42261 1/20 0.43
▸ CHRND Q07001 5/20 0.42
▸ CHRNA1 P02708 1/20 0.42
▸ CHRNG P07510 1/20 0.42
▸ CHRNB1 P11230 1/20 0.42

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
SCHEMBL26259415 0.88 CA1 (0.54) CA9ALBCA1CA2CA12
SCHEMBL26258293 0.80 CA2 (0.47) CA9ALBCA1CA2CA12
SCHEMBL26258159 0.80 CA9 (0.47) CA9ALBCA1CA2FOLH1
SCHEMBL13064370 0.79 CA2 (0.66) CA9CA1CA2CA12CA5A
SCHEMBL26258181 0.79 CA9 (0.47) CA9ALBCA1CA2FOLH1
SCHEMBL26421259 0.70 CHRND (0.50) ALBFOLH1CHRNDCHRNA1CHRNG
SCHEMBL19370519 0.70 CA1 (0.61) CA9ALBCA1CA2CA12
SCHEMBL24911896 0.70 FOLH1 (0.68) FOLH1
SCHEMBL19383055 0.70 CA2 (0.69) CA9ALBCA1CA2CA12
SCHEMBL24910517 0.69 FOLH1 (0.75) ALBFOLH1

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
WO-2023155454-A1 CARBONIC ANHYDRASE IX-TARGETING RADIOACTIVE DIAGNOSTIC AND THERAPEUTIC MEDICAMENT AND METHOD FOR PREPARING SAME 无锡诺宇医药科技有限公司 2023-08-24 — — WO disclosed
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