SCHEMBL6662295

SCHEMBL6662295

N#Cc1ccc(-c2ccc(C(=O)O)cc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.56
NPC1 O15118 4/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MAP4K4 O95819 1/20 0.53
TP53 P04637 1/20 0.52
P4HA1 P13674 1/20 0.50
P4HTM Q9NXG6 1/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ADH5 P11766 1/20 0.48
SLC22A12 Q96S37 1/20 0.47
EGLN2 Q96KS0 1/20 0.46
PDE4A P27815 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
SCHEMBL5937360 0.90 LDHA (0.65) LDHANPC1RAB9ASMN1; SMN2MAP4K4
SCHEMBL18716552 0.84 NPC1 (0.56) LDHANPC1RAB9ASMN1; SMN2MAP4K4
SCHEMBL9021665 0.84 KDM4E (0.61) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9024311 0.83 KDM4E (0.56) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL1550565 0.83 EGLN1 (0.53) LDHAMAP4K4P4HA1P4HTMKDM4E
SCHEMBL13986853 0.82 KDM4E (0.59) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL6687942 0.82 KDM4E (0.51) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL30753641 0.81 LDHA (0.81) LDHANPC1RAB9ASMN1; SMN2TP53
SCHEMBL28312333 0.81 LDHA (0.81) LDHANPC1RAB9ASMN1; SMN2TP53
SCHEMBL9022425 0.81 KDM4E (0.58) MAP4K4KDM4EALDH1A1HPGDHTT

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
WO-2004006923-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA GLAXO GROUP LIMITED (GB) 2004-01-22 WO disclosed