SCHEMBL7878466

SCHEMBL7878466

O=C(O)Oc1ccccc1CI

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
CXCL8 P10145 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPSR1 Q6W5P4 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
AKR1B1 P15121 1/20 0.36
EPHX1 P07099 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ESR1 P03372 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
HMGB1 P09429 1/20 0.36

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
SCHEMBL7878460 0.86 HPGD (0.39) TSHRCXCL8L3MBTL1NPSR1PTGDR2
SCHEMBL10338678 0.83 TSHR (0.41) TSHRCXCL8L3MBTL1NPSR1PTGDR2
SCHEMBL6006352 0.83 HTR1A (0.46) TSHRCXCL8L3MBTL1NPSR1THRA
SCHEMBL5587910 0.83 GAA (0.38) CXCL8L3MBTL1NPSR1AKR1B1SMN1; SMN2
SCHEMBL1395495 0.82 EPHX1 (0.51) TSHRCXCL8L3MBTL1PTGDR2ALDH1A1
SCHEMBL47951 0.82 L3MBTL1 (0.48) TSHRL3MBTL1NPSR1ALDH1A1THRA
SCHEMBL5147274 0.80 HPGD (0.38) L3MBTL1ALDH1A1TP53HTTKMT2A
SCHEMBL9616117 0.80 KDM4E (0.44) TSHRCXCL8L3MBTL1NPSR1PTGDR2
SCHEMBL611228 0.80 CXCL8 (0.42) TSHRCXCL8L3MBTL1NPSR1PTGDR2
SCHEMBL609103 0.80 CXCL8 (0.42) TSHRCXCL8L3MBTL1NPSR1PTGDR2

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
CN-107619392-B 1H-indazole-4-ether compounds and use thereof as IDO inhibitors 西华大学 2021-01-01 CN disclosed
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed