SCHEMBL8686409

SCHEMBL8686409

Cc1ccccc1C([N])=O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
TYK2 P29597 1/20 0.48
ERCC5 P28715 1/20 0.48
FEN1 P39748 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
MYC P01106 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPK1 P28482 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
ELANE P08246 1/20 0.44

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
SCHEMBL166603 0.79 HPGD (0.54) HPGDERCC5FEN1HTTSMN1; SMN2
SCHEMBL333141 0.79 CYP3A4 (0.55) HPGDERCC5FEN1HTTSMN1; SMN2
SCHEMBL29387256 0.79 CYP3A4 (0.55) HPGDERCC5FEN1HTTSMN1; SMN2
SCHEMBL29425530 0.79 HPGD (0.54) HPGDERCC5FEN1HTTSMN1; SMN2
Toluic Acid SCHEMBL29119772 0.78 ALDH1A1 (0.59) HPGDERCC5FEN1HTTSMN1; SMN2
SCHEMBL10669335 0.77 CYP3A4 (0.59) HPGDERCC5FEN1HTTSMN1; SMN2
SCHEMBL112406 0.77 HPGD (0.57) HPGDTYK2ERCC5FEN1HTT
Toluic Acid SCHEMBL4152 0.77 ALDH1A1 (0.65) HPGDERCC5FEN1SMN1; SMN2MYC
SCHEMBL49951 0.77 HPGD (0.52) HPGDERCC5FEN1HTTSMN1; SMN2
Toluic Acid SCHEMBL148201 0.77 ALDH1A1 (0.65) HPGDERCC5FEN1SMN1; SMN2MYC

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-5780490-A A O-(2,4-OXA(OR THIA)ZOLIDINYL)PHENYLOXY(OR THIO OR AMINO) ALKYLOXIME; ALDOSE REDUCTASE INHIBITORS; ANTIDIABETIC AND -HYPOGLYCEMIC AGENTS; LIVER, SKIN AND UROGENITAL DISORDERS SANKYO COMPANY, LIMITED (JP) 1998-07-14 US disclosed