SCHEMBL21363549

SCHEMBL21363549

O=C(CCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCCCCCCCCCCCSC1CC(=O)N(c2ccc3ccc4cccc5ccc2c3c45)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
ITGB1 P05556 1/20 0.46
ITGA4 P13612 1/20 0.46
CA12 O43570 4/20 0.44
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA9 Q16790 4/20 0.44
PLCD1 P51178 1/20 0.43
SLC6A4 P31645 1/20 0.43
CNR1 P21554 1/20 0.41
GBA1 P04062 1/20 0.41
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
TPSAB1 Q15661 1/20 0.41
FLI1 Q01543 1/20 0.41
EWSR1 Q01844 1/20 0.41
RNF168 Q8IYW5 1/20 0.41
PKM P14618 1/20 0.40

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
SCHEMBL21363332 1.00 TDP1 (0.46) TDP1ITGB1ITGA4CA12CA1
SCHEMBL21363739 0.79 TDP1 (0.56) TDP1ITGB1ITGA4CA12CA1
SCHEMBL21363740 0.79 TDP1 (0.56) TDP1ITGB1ITGA4CA12CA1
SCHEMBL4980050 0.78 CA12 (0.53) TDP1ITGB1ITGA4CA12CA1
SCHEMBL21363523 0.78 TDP1 (0.51) TDP1ITGB1ITGA4CA12CA1
SCHEMBL21363548 0.78 CA12 (0.56) TDP1ITGB1ITGA4CA12CA1
SCHEMBL21363738 0.74 ALDH1A1 (0.33) TDP1PKM
SCHEMBL18779801 0.73 TDP1 (0.78) TDP1ITGB1ITGA4CA12CA1
SCHEMBL4986693 0.73 PKM (0.58) TDP1CA12CA1CA2CA9
SCHEMBL21363741 0.71 POLB (0.40) TDP1PKM

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