SCHEMBL900650

SCHEMBL900650

NNC(=O)CCCCCC(CCCC1SCC2NC(=O)NC21)C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.57
MEN1 O00255 1/20 0.56
ABL1 P00519 1/20 0.56
LMNA P02545 1/20 0.56
PKM P14618 1/20 0.56
IDE P14735 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 1/20 0.56
RIN1 Q13671 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HLCS P50747 6/20 0.52
CA12 O43570 6/20 0.52
CA1 P00915 6/20 0.52
CA2 P00918 6/20 0.52
CA9 Q16790 6/20 0.52

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
SCHEMBL14812382 0.89 TDP1 (0.70) TDP1MEN1ABL1LMNAPKM
SCHEMBL12424056 0.88 TDP1 (0.71) TDP1MEN1ABL1LMNAPKM
SCHEMBL565406 0.88 TDP1 (0.71) TDP1MEN1ABL1LMNAPKM
SCHEMBL33865 0.88 TDP1 (0.71) TDP1MEN1ABL1LMNAPKM
SCHEMBL19514780 0.88 TDP1 (0.71) TDP1MEN1ABL1LMNAPKM
SCHEMBL10140211 0.88 TDP1 (0.71) TDP1MEN1ABL1LMNAPKM
SCHEMBL5585660 0.88 TDP1 (0.71) TDP1MEN1ABL1LMNAPKM
SCHEMBL5585656 0.88 TDP1 (0.71) TDP1MEN1ABL1LMNAPKM
Hydrazine SCHEMBL28140320 0.86 TDP1 (0.70) TDP1MEN1ABL1LMNAPKM
SCHEMBL23863708 0.86 TDP1 (0.65) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012044761-A1 LADDER-FRAME POLYETHER CONJUGATES UNIVERSITY OF NORTH CAROLINA AT WILMINGTON (US) 2012-04-05 WO disclosed