SCHEMBL18268937

SCHEMBL18268937

O=C(CCCC[C@@H]1SCC2NC(=O)NC21)NCCCC(=O)Oc1c(F)c(F)cc(F)c1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.59
▸ F2 P00734 1/20 0.55
▸ PRSS1 P07477 1/20 0.55
▸ PRSS2 P07478 1/20 0.55
▸ PRSS3 P35030 1/20 0.55
▸ TPSAB1 Q15661 1/20 0.55
▸ CA12 O43570 2/20 0.53
▸ CA1 P00915 2/20 0.53
▸ CA2 P00918 2/20 0.53
▸ CA9 Q16790 2/20 0.53
▸ CNR2 P34972 2/20 0.52
▸ CNR1 P21554 3/20 0.52
▸ HPSE Q9Y251 1/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ ABL1 P00519 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ IDE P14735 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ KMT2A Q03164 1/20 0.50

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
SCHEMBL4552880 0.92 F2 (0.58) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL1727527 0.92 TDP1 (0.67) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL13888577 0.92 TDP1 (0.67) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL10002269 0.92 TDP1 (0.67) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL29392244 0.91 PRSS1 (0.64) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL14922108 0.90 TDP1 (0.62) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL14922112 0.88 TDP1 (0.62) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL24495340 0.86 F2 (0.49) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL3870139 0.86 TDP1 (0.61) TDP1CA12CA1CA2CA9
SCHEMBL14165464 0.84 TDP1 (0.72) 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-20160346409-A1 TARGETED MOLECULAR IMAGING CONTRAST AGENTS UNIV MCMASTER (CA) 2016-12-01 — — US disclosed
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