SCHEMBL7064643

SCHEMBL7064643

N#Cc1ccc([AsH]C(=O)c2onc3cc(OCc4ccccc4)ccc23)c(C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.41
SLC16A3 O15427 1/20 0.41
ALOX5 P09917 1/20 0.41
ALOX5AP P20292 1/20 0.41
MAOA P21397 1/20 0.41
EGLN2 Q96KS0 2/20 0.40
EGLN1 Q9GZT9 2/20 0.40
GPR34 Q9UPC5 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MDH2 P40926 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MCL1 Q07820 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37

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
SCHEMBL7131039 0.78 MCL1 (0.39) ALDH1A1MCL1
SCHEMBL6830330 0.74 SLC16A3 (0.44) MAOBSLC16A3ALOX5ALOX5APMAOA
SCHEMBL17338659 0.73 MAOB (0.53) MAOBMAOAALDH1A1SMN1; SMN2
SCHEMBL7124908 0.72 ABCG2 (0.38) MAOBMAOAALDH1A1
SCHEMBL17338668 0.71 NPC1 (0.44) MAOBMAOAALDH1A1HPGDMDH2
SCHEMBL7129663 0.70 ABCB1 (0.33)
SCHEMBL6918289 0.69 SMN1; SMN2 (0.38) ALDH1A1HPGDSMN1; SMN2
SCHEMBL6915841 0.68 MEN1 (0.42) ALDH1A1HPGD
SCHEMBL6818920 0.68 ALB (0.42) MAOB
SCHEMBL6918968 0.67 MEN1 (0.42) ALDH1A1HPGDSMN1; SMN2

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-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed