SCHEMBL6010140

SCHEMBL6010140

O=Cc1ccc(-c2cc(Cl)ccc2O)o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.57
PIK3CG P48736 2/20 0.57
SLC9A1 P19634 1/20 0.51
HPGD P15428 4/20 0.50
HTT P42858 1/20 0.50
LDHA P00338 1/20 0.49
LDHB P07195 1/20 0.49
HAO1 Q9UJM8 1/20 0.49
EPHX2 P34913 1/20 0.47
ERN1 O75460 1/20 0.47
ALDH1A1 P00352 6/20 0.47
POLB P06746 5/20 0.47
MAPT P10636 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 7/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 3/20 0.42
TDP1 Q9NUW8 4/20 0.41
NPC1 O15118 2/20 0.41

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
SCHEMBL4697667 0.83 HPGD (0.65) SLC9A1HPGDHTTALDH1A1POLB
SCHEMBL27330465 0.81 KDM4E (0.58) PIK3CAPIK3CGHPGDHTTALDH1A1
SCHEMBL1728691 0.80 MAPT (0.64) HPGDHTTALDH1A1POLBMAPT
SCHEMBL3030714 0.77 ALDH1A1 (0.50) HPGDHTTALDH1A1POLBMAPT
SCHEMBL6009501 0.77 ALDH1A1 (0.62) SLC9A1HPGDHTTERN1ALDH1A1
SCHEMBL14314321 0.77 TYR (0.47) PIK3CAPIK3CGHPGDHTTLDHA
SCHEMBL3033242 0.77 LDHA (0.46) PIK3CAPIK3CGHPGDLDHALDHB
SCHEMBL3038244 0.76 KDM4E (0.63) PIK3CAPIK3CGHPGDLDHALDHB
SCHEMBL17354460 0.76 MAPT (0.67) PIK3CAPIK3CGHPGDLDHALDHB
SCHEMBL3028708 0.74 ESR1 (0.69) PIK3CAPIK3CGHPGDLDHALDHB

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