SCHEMBL8978648

SCHEMBL8978648

Cc1ccccc1-c1n[nH]c(=S)n1-c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.69
KDM4E B2RXH2 6/20 0.69
HPGD P15428 5/20 0.69
LMNA P02545 3/20 0.69
RXFP1 Q9HBX9 3/20 0.69
PPARG P37231 2/20 0.69
NCOA2 Q15596 2/20 0.69
NCOA1 Q15788 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
GFER P55789 2/20 0.69
APOBEC3G Q9HC16 2/20 0.69
PRNP P04156 1/20 0.69
HSD17B10 Q99714 1/20 0.69
PKM P14618 2/20 0.67
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
CHRNE Q04844 1/20 0.56
RPA1 P27694 1/20 0.54
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.53

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
SCHEMBL13983421 0.83 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDLMNARXFP1
SCHEMBL8978565 0.83 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDLMNARXFP1
SCHEMBL12768250 0.83 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDLMNARXFP1
SCHEMBL8978592 0.82 KDM4E (1.00) ALDH1A1KDM4EHPGDLMNARXFP1
SCHEMBL8978535 0.82 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDLMNARXFP1
SCHEMBL13983470 0.82 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDLMNARXFP1
SCHEMBL7072642 0.80 ALDH1A1 (0.81) ALDH1A1KDM4EHPGDRXFP1PPARG
SCHEMBL8978544 0.78 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDLMNARXFP1
SCHEMBL10189851 0.78 TDP1 (0.73) ALDH1A1KDM4EHPGDLMNARXFP1
SCHEMBL13983416 0.77 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDLMNARXFP1

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