SCHEMBL7229393

SCHEMBL7229393

COc1ccc(Oc2c(I)cncc2I)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ LTA4H P09960 2/20 0.43
▸ NPBWR1 P48145 9/20 0.42
▸ MCHR1 Q99705 3/20 0.42
▸ HAO1 Q9UJM8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ ACHE P22303 1/20 0.38

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
SCHEMBL8425554 0.76 CA1 (0.44) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL6535223 0.71 PCNA (0.49) CYP1A2CYP2C9SMN1; SMN2HPGD
SCHEMBL7937662 0.71 PCNA (0.47) LTA4HCYP1A2CYP2C9SMN1; SMN2HPGD
Formic Acid Methyl Ester SCHEMBL28279052 0.71 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL5146420 0.71 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL166536 0.69 CA1 (0.79) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL83811 0.69 CA1 (0.79) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL11580995 0.69 CA1 (0.79) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL4431892 0.69 MAPT (0.48) ALDH1A1CA1CA2RAB9ACYP3A4
SCHEMBL6135835 0.69 TPMT (0.58) KMT2AMEN1CA1CA2NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6630489-B1 Quinoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2003-10-07 — — US disclosed
EP-1157008-A1 QUINOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS AstraZeneca AB (SE) 2001-11-28 — — EP disclosed
WO-2000050405-A1 QUINOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2000-08-31 — — WO disclosed
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