SCHEMBL27967263

SCHEMBL27967263

NC(=O)NSc1ccc(C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
TP53 P04637 1/20 0.48
SRD5A2 P31213 3/20 0.43
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA12 O43570 3/20 0.42
CA9 Q16790 3/20 0.42
CA3 P07451 2/20 0.41
CA6 P23280 2/20 0.41
CA5A P35218 2/20 0.41
CA7 P43166 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
TYR P14679 1/20 0.41
DRD1 P21728 1/20 0.41
CA4 P22748 1/20 0.41
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
ALOX15 P16050 1/20 0.40
TPMT P51580 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
SCHEMBL28231696 0.82 HPGD (0.55) ALDH1A1SMN1; SMN2HTTNOS1
SCHEMBL158241 0.81 SIRT1 (0.42) TSHRALDH1A1SMN1; SMN2CYP2C19
SCHEMBL27300142 0.79 MAPT (0.50) TSHRCA1CA2CA12CA9
SCHEMBL27602858 0.79 PEPD (0.48) TSHRCA1CA2CA12CA9
SCHEMBL19345940 0.79 CYP3A4 (0.42) TSHRCA1CA2CA3CA6
SCHEMBL4558245 0.78 NPC1 (0.41) TSHRSMN1; SMN2HTT
SCHEMBL27317150 0.78 ALDH1A1 (0.50) CA1CA2ALDH1A1SMN1; SMN2HTT
SCHEMBL27385764 0.78 KIF11 (0.46) ALOX15ALDH1A1CES2CES1
SCHEMBL27844163 0.78 SMN1; SMN2 (0.50) CA1CA2ALDH1A1SMN1; SMN2CES2
SCHEMBL28195811 0.78 TPMT (0.37) CA1CA2CA12CA9TPMT

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
CN-103838090-A Polymer film dissolving solution LIU GUOZHENG 2014-06-04 CN claimed
CN-103838090-A Polymer film dissolving solution LIU GUOZHENG 2014-06-04 CN disclosed