SCHEMBL8978563

SCHEMBL8978563

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 7/20 1.00
TDP1 Q9NUW8 2/20 1.00
GFER P55789 2/20 1.00
LMNA P02545 1/20 1.00
KDM4E B2RXH2 3/20 0.72
KMT2A Q03164 2/20 0.72
MEN1 O00255 1/20 0.72
TSHR P16473 1/20 0.72
ALDH1A1 P00352 6/20 0.70
HPGD P15428 3/20 0.70
HSD17B10 Q99714 3/20 0.70
HTT P42858 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
POLB P06746 1/20 0.69
MAPT P10636 2/20 0.67
NPSR1 Q6W5P4 1/20 0.67
CA9 Q16790 2/20 0.64
CYP1A2 P05177 1/20 0.58
CYP2C19 P33261 1/20 0.58

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
SCHEMBL8978573 0.84 KDM4E (0.72) APOBEC3GTDP1GFERLMNAKDM4E
SCHEMBL1545255 0.84 KDM4E (0.72) APOBEC3GTDP1GFERLMNAKDM4E
SCHEMBL8978645 0.83 KDM4E (0.71) APOBEC3GTDP1GFERLMNAKDM4E
SCHEMBL8978559 0.83 GFER (0.74) APOBEC3GTDP1GFERLMNAKDM4E
SCHEMBL8978685 0.83 ALDH1A1 (1.00) APOBEC3GTDP1GFERLMNAKDM4E
SCHEMBL2893146 0.82 TDP1 (0.77) APOBEC3GTDP1GFERLMNAKDM4E
SCHEMBL8233155 0.81 APOBEC3G (0.68) APOBEC3GTDP1GFERLMNAKDM4E
SCHEMBL8978607 0.80 KDM4E (0.71) APOBEC3GTDP1GFERLMNAKDM4E
SCHEMBL8978649 0.80 ALDH1A1 (0.78) APOBEC3GTDP1GFERLMNAKDM4E
SCHEMBL8978623 0.78 APOBEC3G (1.00) APOBEC3GTDP1GFERLMNAKDM4E

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