SCHEMBL14922112

SCHEMBL14922112

O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.62
▸ F2 P00734 1/20 0.56
▸ PRSS1 P07477 1/20 0.56
▸ PRSS2 P07478 1/20 0.56
▸ PRSS3 P35030 1/20 0.56
▸ TPSAB1 Q15661 1/20 0.56
▸ PKM P14618 3/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ ABL1 P00519 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ IDE P14735 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ RIN1 Q13671 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ CA12 O43570 2/20 0.54
▸ CA1 P00915 2/20 0.54
▸ CA2 P00918 2/20 0.54
▸ CA9 Q16790 2/20 0.54
▸ PLCD1 P51178 1/20 0.51

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
SCHEMBL14922108 0.94 TDP1 (0.62) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL30256099 0.91 F2 (0.65) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL140972 0.90 TDP1 (0.72) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL9926313 0.90 TDP1 (0.72) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL14165464 0.90 TDP1 (0.72) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL31224941 0.90 TDP1 (0.72) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL18268937 0.88 TDP1 (0.59) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL29392244 0.84 PRSS1 (0.64) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL9412852 0.84 TDP1 (0.74) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL10088098 0.84 TDP1 (0.59) TDP1F2PRSS1PRSS2PRSS3

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
US-8435800-B2 Activated labeling reagents and methods for preparing and using the same BIOSIGHT LTD. (IL) 2013-05-07 — — US disclosed
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