SCHEMBL17704089

SCHEMBL17704089

CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.72
▸ HLCS P50747 2/20 0.70
▸ CNR1 P21554 2/20 0.63
▸ MEN1 O00255 1/20 0.62
▸ ABL1 P00519 1/20 0.62
▸ LMNA P02545 1/20 0.62
▸ PKM P14618 1/20 0.62
▸ IDE P14735 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ RIN1 Q13671 1/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ CNR2 P34972 2/20 0.61
▸ CA12 O43570 2/20 0.61
▸ CA1 P00915 2/20 0.61
▸ CA2 P00918 2/20 0.61
▸ CA9 Q16790 2/20 0.61
▸ F2 P00734 1/20 0.60
▸ PRSS1 P07477 1/20 0.60
▸ PRSS2 P07478 1/20 0.60

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
SCHEMBL8240579 1.00 TDP1 (0.72) TDP1HLCSCNR1MEN1ABL1
SCHEMBL6941477 1.00 TDP1 (0.72) TDP1HLCSCNR1MEN1ABL1
SCHEMBL13045403 0.99 HLCS (0.71) TDP1HLCSCNR1MEN1ABL1
SCHEMBL15870672 0.99 HLCS (0.71) TDP1HLCSCNR1MEN1ABL1
SCHEMBL22493325 0.99 HLCS (0.71) TDP1HLCSCNR1MEN1ABL1
SCHEMBL12320610 0.99 HLCS (0.71) TDP1HLCSCNR1MEN1ABL1
SCHEMBL7376597 0.99 HLCS (0.71) TDP1HLCSCNR1MEN1ABL1
SCHEMBL12729936 0.99 HLCS (0.71) TDP1HLCSCNR1MEN1ABL1
SCHEMBL13621820 0.97 TDP1 (0.70) TDP1HLCSCNR1MEN1ABL1
SCHEMBL14600797 0.97 TDP1 (0.70) TDP1HLCSCNR1MEN1ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3744708-B1 CALIBRANT FOR LIQUID CHROMATOGRAPHY CALIBRATION OF LABELED N-GLYCANS WATERS TECHNOLOGIES CORP (US) 2023-08-09 — — EP disclosed
US-10995365-B2 Compounds and systems for improving signal detection PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2021-05-04 — — US disclosed
EP-3744708-A1 CALIBRANT FOR LIQUID CHROMATOGRAPHY CALIBRATION OF LABELED N-GLYCANS Waters Technologies Corporation (US) 2020-12-02 — — EP disclosed
US-9669038-B1 Heterocyclic compounds and uses thereof GLOBAVIR BIOSCIENCES, INC. (US) 2017-06-06 — — US disclosed
US-9321749-B1 Heterocyclic compounds and uses thereof GLOBAVIR BIOSCIENCES, INC. (US) 2016-04-26 — — US disclosed
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