SCHEMBL6010284

SCHEMBL6010284

COc1cccc(-c2ccc([C]=O)o2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.52
ALDH1A1 P00352 4/20 0.50
HPGD P15428 4/20 0.50
KDM4E B2RXH2 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
CYP3A4 P08684 2/20 0.50
MAPK1 P28482 2/20 0.50
USP2 O75604 1/20 0.50
RECQL P46063 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PIK3CG P48736 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
TP53 P04637 2/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GSK3B P49841 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL18832312 0.84 HPGD (0.49) SLC9A1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL2320167 0.80 EGFR (0.51) ALDH1A1HPGDKDM4ESMN1; SMN2CYP3A4
SCHEMBL2324206 0.79 SLC9A1 (0.48) SLC9A1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL13990243 0.77 ALDH1A1 (0.70) SLC9A1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL13078464 0.75 SLC9A1 (0.67) SLC9A1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL2549273 0.75 PIK3CG (0.58) SLC9A1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL3741650 0.75 SLC9A1 (0.67) SLC9A1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL6669312 0.74 SLC9A1 (0.73) SLC9A1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL4939182 0.74 SLC9A1 (0.65) SLC9A1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL2346044 0.74 ALDH1A1 (0.46) SLC9A1ALDH1A1HPGDSMN1; SMN2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697335-A1 FURANCARBONYLGUANIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-09-06 EP disclosed
WO-2005063727-A1 FURANCARBONYLGUANIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2005-07-14 WO disclosed