SCHEMBL11839700

SCHEMBL11839700

CC(=CC(=O)Nc1ccccc1)C(O)=S

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS2R38 P59533 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ NAPRT Q6XQN6 1/20 0.52
▸ TGM2 P21980 1/20 0.52
▸ GAA P10253 4/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ EPHX1 P07099 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ DEGS1 O15121 1/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ NPC1 O15118 4/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ TSHR P16473 2/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ PARP1 P09874 1/20 0.50
▸ PARP15 Q460N3 1/20 0.50
▸ PARP10 Q53GL7 1/20 0.50

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
SCHEMBL10348048 0.84 NAPRT (0.53) HSD17B10NAPRTTGM2GAAKDM4E
SCHEMBL11839691 0.82 NAPRT (0.52) HSD17B10NAPRTTGM2GAAKDM4E
SCHEMBL5177141 0.82 PARP1 (0.57) HSD17B10NAPRTTGM2GAAMAPT
SCHEMBL7679084 0.81 SMN1; SMN2 (0.67) HSD17B10NAPRTTGM2GAAKDM4E
SCHEMBL396577 0.81 SMN1; SMN2 (0.67) HSD17B10NAPRTTGM2GAAKDM4E
SCHEMBL5174574 0.81 TGM2 (0.50) HSD17B10NAPRTTGM2GAAMAPT
SCHEMBL5174576 0.81 TGM2 (0.50) HSD17B10NAPRTTGM2GAAMAPT
SCHEMBL11530335 0.79 PTGS2 (0.63) HSD17B10NAPRTTGM2GAAKDM4E
SCHEMBL11530331 0.79 PTGS2 (0.63) HSD17B10NAPRTTGM2GAAKDM4E
SCHEMBL8468336 0.79 MAPT (0.61) HSD17B10NAPRTTGM2GAAMAPT

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-3985894-A Method of controlling rice blast with N-(alkylthiophenyl)maleimides THE DOW CHEMICAL COMPANY (US) 1976-10-12 — — US disclosed
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