SCHEMBL21135343

SCHEMBL21135343

O=C1c2ccccc2NC1C1Sc2ccccc2C1=S

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 5/20 0.38
ALOX15 P16050 3/20 0.38
HSD17B10 Q99714 3/20 0.38
MAPK10 P53779 1/20 0.38
TSHR P16473 3/20 0.36
LMNA P02545 3/20 0.36
TDP1 Q9NUW8 5/20 0.35
HPGD P15428 4/20 0.35
POLB P06746 3/20 0.35
KDM4E B2RXH2 2/20 0.35
USP2 O75604 1/20 0.35
ESR1 P03372 1/20 0.35
THRB P10828 1/20 0.35
PTPN7 P35236 1/20 0.35
RECQL P46063 1/20 0.35
ESR2 Q92731 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
IDO1 P14902 1/20 0.34
PDGFRA P16234 1/20 0.33

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
SCHEMBL21135349 0.86 L3MBTL1 (0.45) L3MBTL1ALDH1A1ALOX15HSD17B10MAPK10
SCHEMBL21135350 0.79 LMNA (0.42) L3MBTL1ALDH1A1HSD17B10TSHRLMNA
SCHEMBL19568178 0.74 TSHR (0.50) L3MBTL1ALDH1A1HSD17B10TSHRLMNA
SCHEMBL6557130 0.74 TSHR (0.50) L3MBTL1ALDH1A1HSD17B10TSHRLMNA
SCHEMBL21135378 0.70 ALDH1A1 (0.36) ALDH1A1HSD17B10TSHRLMNAHPGD
SCHEMBL13940537 0.68 MEN1 (0.41) L3MBTL1ALDH1A1ALOX15HSD17B10TSHR
SCHEMBL21135377 0.68 PARP1 (0.38) ALDH1A1HSD17B10TSHRLMNATDP1
SCHEMBL9899341 0.64 IDO1 (0.45) L3MBTL1ALDH1A1HSD17B10TSHRLMNA
SCHEMBL13302892 0.62 ACHE (0.39) L3MBTL1ALDH1A1HSD17B10TSHRLMNA
SCHEMBL68578 0.62 ACHE (0.39) L3MBTL1ALDH1A1HSD17B10TSHRLMNA

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-20190194464-A1 MODIFIED DYE COMPOUNDS AND METHODS OF DYEING SUBSTRATES THE H.D. LEE COMPANY, INC. 2019-06-27 US disclosed