SCHEMBL8978622

SCHEMBL8978622

COc1ccc(-c2n[nH]c(=S)n2-c2ccccc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.79
HTT P42858 1/20 0.79
CUL4A Q13619 1/20 0.79
ALDH1A1 P00352 8/20 0.76
MEN1 O00255 1/20 0.76
KMT2A Q03164 1/20 0.76
KDM4E B2RXH2 6/20 0.68
GFER P55789 2/20 0.68
PPARG P37231 2/20 0.67
NCOA2 Q15596 2/20 0.67
NCOA1 Q15788 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
CA1 P00915 2/20 0.67
CA2 P00918 2/20 0.67
CA12 O43570 1/20 0.67
CA9 Q16790 1/20 0.67
HSD17B10 Q99714 2/20 0.64
APOBEC3G Q9HC16 2/20 0.64
LMNA P02545 1/20 0.64
PRNP P04156 1/20 0.64

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
SCHEMBL7691829 0.92 HPGD (0.91) HPGDHTTCUL4AALDH1A1MEN1
SCHEMBL5429619 0.86 RXFP1 (0.66) HPGDHTTCUL4AALDH1A1MEN1
SCHEMBL7072642 0.86 ALDH1A1 (0.81) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL28538869 0.84 HPGD (0.77) HPGDHTTCUL4AALDH1A1KDM4E
SCHEMBL8978529 0.83 ADAM17 (0.77) HPGDHTTALDH1A1MEN1KMT2A
SCHEMBL8978517 0.82 ALDH1A1 (0.75) HPGDHTTCUL4AALDH1A1MEN1
SCHEMBL5429664 0.82 ALDH1A1 (0.75) HPGDHTTALDH1A1MEN1KMT2A
SCHEMBL13729062 0.80 TDP1 (0.75) HPGDHTTALDH1A1MEN1KMT2A
SCHEMBL28543630 0.80 KDM4E (0.79) HPGDHTTCUL4AALDH1A1MEN1
SCHEMBL8931026 0.79 KDM4E (0.85) HPGDHTTCUL4AALDH1A1MEN1

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