SCHEMBL4733487

SCHEMBL4733487

COC(=O)c1sc(-c2ccc(-c3cn4ccccc4n3)cc2)cc1N(C(=O)c1ccc(Cl)cc1Cl)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.42
▸ NPC1 O15118 6/20 0.42
▸ KDM4E B2RXH2 14/20 0.42
▸ ALDH1A1 P00352 8/20 0.42
▸ HPGD P15428 7/20 0.42
▸ SMN1; SMN2 Q16637 6/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAPT P10636 4/20 0.41
▸ LMNA P02545 4/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ ADRB2 P07550 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39

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
SCHEMBL4731381 0.93 RAB9A (0.41) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL4733603 0.92 PTGS1 (0.44) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL14223515 0.87 MAPT (0.42) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL4732922 0.86 CYP1A2 (0.44) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL4730549 0.84 PTGS1 (0.43) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL2158238 0.84 MAPT (0.50) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL4727903 0.82 MAPT (0.39) RAB9ANPC1KDM4ESMN1; SMN2KMT2A
SCHEMBL14043169 0.81 MAPT (0.44) RAB9ANPC1KDM4ESMN1; SMN2KMT2A
SCHEMBL4155723 0.79 KDM4E (0.43) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL4155724 0.79 KDM4E (0.43) RAB9ANPC1KDM4EALDH1A1HPGD

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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