SCHEMBL19382591

SCHEMBL19382591

NS(=O)(=O)c1nnc(NC(=O)CCCCCCCNC(=O)CCCCCCCNC(=O)OCC2c3ccccc3-c3ccccc32)s1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.56
▸ CA2 P00918 17/20 0.52
▸ CA1 P00915 16/20 0.52
▸ CA4 P22748 12/20 0.52
▸ CA9 Q16790 12/20 0.52
▸ CA12 O43570 11/20 0.52
▸ CA14 Q9ULX7 11/20 0.52
▸ CA5A P35218 10/20 0.52
▸ CA7 P43166 10/20 0.52
▸ CA5B Q9Y2D0 10/20 0.52
▸ CA3 P07451 9/20 0.52
▸ CA6 P23280 9/20 0.52
▸ CA13 Q8N1Q1 9/20 0.52
▸ ALB P02768 1/20 0.46

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
SCHEMBL31098806 0.98 KMT2A (0.58) KMT2ACA2CA1CA4CA9
SCHEMBL19382918 0.98 KMT2A (0.58) KMT2ACA2CA1CA4CA9
SCHEMBL14315055 0.79 CA2 (0.53) KMT2ACA2CA1CA4CA9
SCHEMBL8046428 0.78 KMT2A (0.91) KMT2A
SCHEMBL17599913 0.78 KMT2A (0.91) KMT2A
SCHEMBL31652507 0.77 KMT2A (0.89) KMT2A
SCHEMBL4673462 0.77 KMT2A (0.73) KMT2A
SCHEMBL19359112 0.77 CA1 (0.83) CA2CA1CA4CA9CA12
SCHEMBL5550978 0.77 KMT2A (0.76) KMT2A
SCHEMBL14086099 0.76 KMT2A (0.81) KMT2ACA2CA1

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-2017161195-A1 CA IX-TARGET NIR DYES AND THEIR USES On Target Laboratories, LLC (US) 2017-09-21 — — WO disclosed
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