SCHEMBL21363740

SCHEMBL21363740

O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)NC21)NCCCCc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.56
CA12 O43570 5/20 0.55
CA1 P00915 5/20 0.55
CA2 P00918 5/20 0.55
CA9 Q16790 5/20 0.55
ITGB1 P05556 1/20 0.53
ITGA4 P13612 1/20 0.53
PKM P14618 2/20 0.48
MEN1 O00255 1/20 0.48
ABL1 P00519 1/20 0.48
LMNA P02545 1/20 0.48
IDE P14735 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
RIN1 Q13671 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PLCD1 P51178 1/20 0.48
SLC6A4 P31645 1/20 0.47
HSP90AB1 P08238 1/20 0.47

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
SCHEMBL21363739 1.00 TDP1 (0.56) TDP1CA12CA1CA2CA9
SCHEMBL21363548 0.97 CA12 (0.56) TDP1CA12CA1CA2CA9
SCHEMBL21363523 0.94 TDP1 (0.51) TDP1CA12CA1CA2CA9
SCHEMBL4980050 0.93 CA12 (0.53) TDP1CA12CA1CA2CA9
SCHEMBL4986693 0.92 PKM (0.58) TDP1CA12CA1CA2CA9
SCHEMBL18779801 0.80 TDP1 (0.78) TDP1CA12CA1CA2CA9
Biotin SCHEMBL16540693 0.79 TDP1 (0.77) TDP1CA12CA1CA2CA9
SCHEMBL9412852 0.78 TDP1 (0.74) TDP1CA12CA1CA2CA9
SCHEMBL12650835 0.78 TDP1 (0.71) TDP1CA12CA1CA2CA9
SCHEMBL12578918 0.78 TDP1 (0.71) TDP1CA12CA1CA2CA9

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-20190285576-A1 SEMICONDUCTOR SENSOR, METHOD FOR PRODUCING THE SAME, AND COMBINED SENSOR TORAY INDUSTRIES, INC. (JP) 2019-09-19 US disclosed