SCHEMBL1871639

SCHEMBL1871639

OCC1CCCCC1N1CCCCC1

nearest known ligand 0.92

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.92
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SLC18A3 Q16572 1/20 0.39

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
Lupinine SCHEMBL2633852 0.96 TDP1 (1.00) TDP1TSHRHTT
Lupinine SCHEMBL177708 0.96 TDP1 (1.00) TDP1TSHRHTT
Lupinine SCHEMBL914675 0.96 TDP1 (1.00) TDP1TSHRHTT
Lupinine SCHEMBL13593464 0.96 TDP1 (1.00) TDP1TSHRHTT
SCHEMBL9040301 0.91 TDP1 (0.84) TDP1SLC18A3
SCHEMBL31501784 0.91 TDP1 (0.91) TDP1TSHRHTT
SCHEMBL16757274 0.91 TDP1 (0.91) TDP1TSHRHTT
Lupinine SCHEMBL13735902 0.85 TDP1 (0.79) TDP1TSHRHTT
SCHEMBL23043270 0.84 TDP1 (0.80) TDP1SLC18A3
SCHEMBL19317460 0.84 TDP1 (0.80) TDP1SLC18A3

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-2011006794-A9 3-OXO-2, 3-DIHYDRO-1H-ISOINDOLE-4-CARBOXAMIDES AS PARP INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-05 — — WO disclosed
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