SCHEMBL6009560

SCHEMBL6009560

CCOc1ccc(Cl)cc1-c1ccc(C=O)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.56
HPGD P15428 7/20 0.50
ALDH1A1 P00352 7/20 0.50
MAPT P10636 5/20 0.50
KDM4E B2RXH2 3/20 0.46
AGPAT2 O15120 3/20 0.43
TACR2 P21452 1/20 0.43
TSHR P16473 1/20 0.42
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.41
HSP90AA1 P07900 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL6009501 0.85 ALDH1A1 (0.62) SLC9A1HPGDALDH1A1MAPTKDM4E
SCHEMBL6009509 0.81 SLC9A1 (0.56) SLC9A1HPGDALDH1A1MAPTKDM4E
SCHEMBL6009527 0.80 ALDH1A1 (0.59) SLC9A1HPGDALDH1A1MAPTKDM4E
SCHEMBL6009556 0.78 SLC9A1 (0.56) SLC9A1HPGDALDH1A1MAPTKDM4E
SCHEMBL27330465 0.77 KDM4E (0.58) HPGDALDH1A1MAPTKDM4EPOLB
SCHEMBL4946224 0.76 SLC9A1 (0.69) SLC9A1HPGDALDH1A1MAPTKDM4E
SCHEMBL4697667 0.76 HPGD (0.65) SLC9A1HPGDALDH1A1MAPTKDM4E
SCHEMBL6010140 0.74 PIK3CA (0.57) SLC9A1HPGDALDH1A1MAPTKDM4E
SCHEMBL3030714 0.74 ALDH1A1 (0.50) HPGDALDH1A1MAPTKDM4EPOLB
SCHEMBL1728691 0.73 MAPT (0.64) HPGDALDH1A1MAPTKDM4EPOLB

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