SCHEMBL29634149

SCHEMBL29634149

COc1ccc(Cl)cc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.57
SLC9A1 P19634 1/20 0.53
ERN1 O75460 1/20 0.51
ALDH1A1 P00352 6/20 0.50
HPGD P15428 4/20 0.50
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
PTGES2 Q9H7Z7 1/20 0.48
AGPAT2 O15120 1/20 0.48
KDM4E B2RXH2 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 1/20 0.46
USP2 O75604 1/20 0.45
PRNP P04156 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
SCHEMBL3759371 1.00 PTGDR2 (0.57) PTGDR2SLC9A1ERN1ALDH1A1HPGD
SCHEMBL5099550 0.87 PDE4D (0.56) ERN1ALDH1A1PTGES2AGPAT2KDM4E
SCHEMBL11312840 0.85 CYP1A1 (0.50) PTGDR2SLC9A1ALDH1A1KDM4ENPSR1
SCHEMBL29772176 0.84 PTGDR2 (0.60) PTGDR2SLC9A1HPGDKDM4EMEN1
SCHEMBL27524115 0.84 PTGDR2 (0.60) PTGDR2SLC9A1HPGDKDM4EMEN1
SCHEMBL7699644 0.83 ALDH1A1 (0.56) ERN1ALDH1A1HPGDAGPAT2KDM4E
SCHEMBL15116958 0.83 SLC9A1 (0.44) PTGDR2SLC9A1ERN1ALDH1A1HPGD
SCHEMBL10093048 0.83 AGPAT2 (0.57) ERN1ALDH1A1HPGDAGPAT2KDM4E
SCHEMBL2795887 0.82 PTGDR2 (0.58) PTGDR2SLC9A1ALDH1A1KDM4ENPSR1
SCHEMBL2795889 0.82 PTGDR2 (0.58) PTGDR2SLC9A1ALDH1A1KDM4ENPSR1

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
CN-113214178-B 3-aryl substituted anthranilic anhydride derivative and preparation method thereof 广东工业大学 2022-05-13 CN disclosed