SCHEMBL8978592

SCHEMBL8978592

COc1ccccc1-c1n[nH]c(=S)n1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 1.00
ALDH1A1 P00352 6/20 1.00
HPGD P15428 4/20 1.00
GFER P55789 3/20 1.00
APOBEC3G Q9HC16 2/20 1.00
LMNA P02545 2/20 1.00
PPARG P37231 2/20 1.00
NCOA2 Q15596 2/20 1.00
NCOA1 Q15788 2/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
PRNP P04156 1/20 1.00
HSD17B10 Q99714 1/20 1.00
RXFP1 Q9HBX9 1/20 1.00
KMT2A Q03164 3/20 0.62
GAA P10253 1/20 0.57
MEN1 O00255 1/20 0.57
PKM P14618 1/20 0.55
POLB P06746 1/20 0.53
HTT P42858 1/20 0.53
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL8931026 0.92 KDM4E (0.85) KDM4EALDH1A1HPGDGFERAPOBEC3G
SCHEMBL4626807 0.92 HPGD (0.85) KDM4EALDH1A1HPGDGFERAPOBEC3G
SCHEMBL8978648 0.82 ALDH1A1 (0.69) KDM4EALDH1A1HPGDGFERAPOBEC3G
SCHEMBL8978529 0.80 ADAM17 (0.77) KDM4EALDH1A1HPGDGFERAPOBEC3G
SCHEMBL8978622 0.78 HPGD (0.79) KDM4EALDH1A1HPGDGFERAPOBEC3G
SCHEMBL13983416 0.78 ALDH1A1 (0.71) KDM4EALDH1A1HPGDGFERAPOBEC3G
SCHEMBL8978565 0.78 ALDH1A1 (0.63) KDM4EALDH1A1HPGDGFERAPOBEC3G
SCHEMBL12768250 0.78 ALDH1A1 (0.63) KDM4EALDH1A1HPGDGFERAPOBEC3G
SCHEMBL8978535 0.77 ALDH1A1 (0.63) KDM4EALDH1A1HPGDGFERAPOBEC3G
SCHEMBL8978530 0.77 GFER (0.74) KDM4EALDH1A1HPGDGFERAPOBEC3G

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-5489598-A INHIBITS ADHESION OF MAC-1 TO ENDOTHELIAL CELLS, USEFUL FOR TREATING GASTRITIS INDUCED BY NONSTEROIDANTIINFLAMMATORY DRUGS IMFLAMMATORY BOWEL DISEASE OF ULCERATIVE COLITIS WARNER-LAMBERT COMPANY (US) 1996-02-06 US disclosed