SCHEMBL12464634

SCHEMBL12464634

Cc1cc(C(=O)N(Cc2cccc(-c3cc4ccccc4o3)c2)c2cc(-c3ccccc3)sc2C(=O)O)c(C)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 2/20 0.38
▸ FFAR1 O14842 2/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL12464636 0.92 MAPT (0.37) PSMB5FFAR1BCHEALDH1A1HPGD
SCHEMBL2158270 0.83 PTPN22 (0.38) PSMB5MEN1KMT2A
SCHEMBL2158355 0.76 CCR2 (0.36) PSMB5FFAR1BCHEALDH1A1MEN1
SCHEMBL2158082 0.76 NPC1 (0.34) ALDH1A1HPGD
SCHEMBL2158053 0.72 CYP3A4 (0.43) —
SCHEMBL2157707 0.71 PTGES (0.45) KMT2A
SCHEMBL3807323 0.70 NPC1 (0.49) KMT2A
SCHEMBL13270878 0.69 PTPN1 (0.46) ALDH1A1HPGDMEN1KMT2A
SCHEMBL2158108 0.68 STAT3 (0.45) ALDH1A1MEN1KMT2A
SCHEMBL6426884 0.68 ALDH1A1 (0.50) ALDH1A1HPGDMEN1KMT2A

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
US-7985769-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 — — US disclosed
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