SCHEMBL14043169

SCHEMBL14043169

COC(=O)c1sc(-c2ccc(-c3cscn3)cc2)cc1N(C(=O)c1ccc(Cl)cc1Cl)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ P2RX7 Q99572 1/20 0.35
▸ IKBKB O14920 1/20 0.35
▸ TP53 P04637 2/20 0.35
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PLA2G2A P14555 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
SCHEMBL14043019 0.90 P2RX7 (0.35) P2RX7SMN1; SMN2
SCHEMBL2158238 0.85 MAPT (0.50) MAPTKDM4ENPC1RAB9ACASP3
SCHEMBL4727903 0.82 MAPT (0.39) MAPTKDM4ENPC1RAB9ACASP3
SCHEMBL4733392 0.82 NPC1 (0.42) MAPTKDM4ENPC1RAB9ACASP3
SCHEMBL14223515 0.81 MAPT (0.42) MAPTKDM4ENPC1RAB9ACASP3
SCHEMBL4147674 0.81 MAPT (0.42) MAPTKDM4ENPC1RAB9ACASP3
SCHEMBL4733487 0.81 RAB9A (0.42) MAPTKDM4ENPC1RAB9ACASP3
SCHEMBL1961039 0.79 FLT1 (0.39) MAPTKDM4ENPC1RAB9ACASP3
SCHEMBL14223297 0.79 MAPT (0.39) MAPTKDM4ENPC1RAB9ACASP3
SCHEMBL14223296 0.78 RAB9A (0.39) MAPTKDM4ENPC1RAB9ACASP3

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-2008125599-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-23 — — WO disclosed
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