SCHEMBL8978655

SCHEMBL8978655

CCn1c(-c2ccc(Oc3ccccc3)cc2)n[nH]c1=S

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.63
APOBEC3G Q9HC16 4/20 0.63
KMT2A Q03164 3/20 0.63
GFER P55789 3/20 0.63
TDP1 Q9NUW8 2/20 0.63
LMNA P02545 1/20 0.63
MEN1 O00255 1/20 0.63
TSHR P16473 1/20 0.63
ALDH1A1 P00352 8/20 0.62
HPGD P15428 4/20 0.62
HSD17B10 Q99714 3/20 0.62
HTT P42858 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
GAA P10253 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
POLB P06746 1/20 0.54
GLA P06280 1/20 0.53
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
SCHEMBL8978645 0.87 KDM4E (0.71) KDM4EAPOBEC3GKMT2AGFERTDP1
SCHEMBL8978559 0.85 GFER (0.74) KDM4EAPOBEC3GKMT2AGFERTDP1
SCHEMBL1545255 0.78 KDM4E (0.72) KDM4EAPOBEC3GKMT2AGFERTDP1
SCHEMBL8978573 0.78 KDM4E (0.72) KDM4EAPOBEC3GKMT2AGFERTDP1
SCHEMBL8978537 0.77 ALDH1A1 (0.56) KDM4EKMT2AGFERTDP1LMNA
SCHEMBL8978685 0.77 ALDH1A1 (1.00) KDM4EAPOBEC3GKMT2AGFERTDP1
SCHEMBL2893146 0.76 TDP1 (0.77) KDM4EAPOBEC3GKMT2AGFERTDP1
SCHEMBL8978649 0.74 ALDH1A1 (0.78) KDM4EAPOBEC3GKMT2AGFERTDP1
SCHEMBL21951988 0.72 TDP1 (0.74) KDM4EAPOBEC3GKMT2AGFERTDP1
SCHEMBL8978623 0.72 APOBEC3G (1.00) KDM4EAPOBEC3GKMT2AGFERTDP1

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