SCHEMBL4732229

SCHEMBL4732229

COCC(C)N(C(=O)c1ccc(Cl)cc1Cl)c1cc(-c2ccccc2)sc1C(=O)OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.46
▸ TP53 P04637 1/20 0.44
▸ KDM4E B2RXH2 6/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ HPGD P15428 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ATM Q13315 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
SCHEMBL2157982 0.93 ALDH1A1 (0.41) MAPTTP53KDM4ENPSR1HPGD
SCHEMBL2158238 0.90 MAPT (0.50) MAPTTP53KDM4ENPC1CASP3
SCHEMBL3811515 0.86 ALDH1A1 (0.38) MAPTTP53HPGDALDH1A1LMNA
SCHEMBL2157477 0.82 NPC1 (0.39) MAPTNPC1RAB9AHPGDALDH1A1
SCHEMBL2158749 0.82 CYP3A4 (0.40) MAPTKDM4ENPC1RAB9AHPGD
SCHEMBL2157576 0.82 CYP1A2 (0.38) MAPT
SCHEMBL2250714 0.81 IKBKB (0.38) —
SCHEMBL2881540 0.81 MAPT (0.48) MAPTTP53KDM4ENPC1CASP3
SCHEMBL2157800 0.81 MAPT (0.48) MAPTTP53KDM4ENPC1CASP3
SCHEMBL4732198 0.80 MAPT (0.48) MAPTTP53KDM4ENPC1CASP3

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
WO-2008043791-A2 THIOPHENE DERIVATIVES FOR TREATING HEPATITIS C SMITHKLINE BEECHAM CORPORATION (US) 2008-04-17 — — WO disclosed
WO-2008043791-A2 THIOPHENE DERIVATIVES FOR TREATING HEPATITIS C SMITHKLINE BEECHAM CORPORATION (US) 2008-04-17 — — WO disclosed
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