SCHEMBL3870139

SCHEMBL3870139

O=C1N[C@H]2[C@H](CS[C@H]2CCCCC(=O)Oc2c(F)cc(F)c(F)c2F)N1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.61
▸ MEN1 O00255 1/20 0.57
▸ ABL1 P00519 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ PKM P14618 1/20 0.57
▸ IDE P14735 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ RIN1 Q13671 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ HLCS P50747 6/20 0.50
▸ CA12 O43570 6/20 0.46
▸ CA1 P00915 6/20 0.46
▸ CA2 P00918 6/20 0.46
▸ CA9 Q16790 6/20 0.46
▸ HPSE Q9Y251 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
SCHEMBL13888577 0.94 TDP1 (0.67) TDP1MEN1ABL1LMNAPKM
SCHEMBL1727527 0.94 TDP1 (0.67) TDP1MEN1ABL1LMNAPKM
SCHEMBL10002269 0.94 TDP1 (0.67) TDP1MEN1ABL1LMNAPKM
SCHEMBL9926313 0.89 TDP1 (0.72) TDP1MEN1ABL1LMNAPKM
SCHEMBL31224941 0.89 TDP1 (0.72) TDP1MEN1ABL1LMNAPKM
SCHEMBL140972 0.89 TDP1 (0.72) TDP1MEN1ABL1LMNAPKM
SCHEMBL14165464 0.89 TDP1 (0.72) TDP1MEN1ABL1LMNAPKM
SCHEMBL318637 0.88 TDP1 (0.61) TDP1MEN1ABL1LMNAPKM
SCHEMBL18268937 0.86 TDP1 (0.59) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL4360688 0.84 TDP1 (0.64) TDP1MEN1ABL1LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544518-B2 Rapid quantitative analysis of proteins or protein function in complex mixtures UNIVERSITY OF WASHINGTON (US) 2009-06-09 — — US disclosed
US-20050233399-A1 Rapid quantitative analysis of proteins or protein function in complex mixtures UNIVERSITY OF WASHINGTON 2005-10-20 — — US disclosed
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