SCHEMBL8978559

SCHEMBL8978559

CCn1c(-c2ccc(OC)cc2)n[nH]c1=S

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.74
GAA P10253 2/20 0.74
KDM4E B2RXH2 4/20 0.70
APOBEC3G Q9HC16 4/20 0.70
KMT2A Q03164 2/20 0.70
TDP1 Q9NUW8 2/20 0.70
LMNA P02545 1/20 0.70
MEN1 O00255 1/20 0.70
TSHR P16473 1/20 0.70
ALDH1A1 P00352 6/20 0.70
HSD17B10 Q99714 4/20 0.70
HTT P42858 3/20 0.68
HPGD P15428 3/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
CYP1A2 P05177 1/20 0.57
CYP2C19 P33261 1/20 0.57
CUL4A Q13619 1/20 0.57
POLB P06746 1/20 0.56

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
SCHEMBL8978655 0.85 KDM4E (0.63) GFERGAAKDM4EAPOBEC3GKMT2A
SCHEMBL8978563 0.83 APOBEC3G (1.00) GFERKDM4EAPOBEC3GKMT2ATDP1
SCHEMBL8978573 0.83 KDM4E (0.72) GFERKDM4EAPOBEC3GKMT2ATDP1
SCHEMBL1545255 0.83 KDM4E (0.72) GFERKDM4EAPOBEC3GKMT2ATDP1
SCHEMBL31375323 0.82 ALDH1A1 (0.78) GFERGAAKDM4EAPOBEC3GKMT2A
SCHEMBL8978521 0.82 KDM4E (1.00) GFERKDM4EAPOBEC3GKMT2ATDP1
SCHEMBL8978645 0.82 KDM4E (0.71) GFERGAAKDM4EAPOBEC3GKMT2A
SCHEMBL1544591 0.81 KDM4E (0.52) GFERGAAKDM4EAPOBEC3GKMT2A
SCHEMBL1544299 0.81 ALDH1A1 (0.62) GFERGAAKDM4EAPOBEC3GKMT2A
SCHEMBL3986959 0.81 GAA (0.54) GFERGAAKDM4EAPOBEC3GKMT2A

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