SCHEMBL4731374

SCHEMBL4731374

COC(=O)c1sc(-c2ccc(-c3cc4ncccn4n3)cc2)cc1N(C(=O)c1ccc(C(F)(F)F)cc1F)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.34
KDM4E B2RXH2 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
IKBKB O14920 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
GFER P55789 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.32
ALOX5AP P20292 3/20 0.32
FEN1 P39748 3/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
POLB P06746 1/20 0.31
SYK P43405 1/20 0.31

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
SCHEMBL4731297 0.94 TP53 (0.34) KDM4ENPSR1IKBKBMAPTMAPK1
SCHEMBL4732780 0.93 NTRK1 (0.34) NTRK1ALDH1A1ALOX5APFEN1
SCHEMBL4730446 0.90 KDM4E (0.38) KDM4ENPSR1IKBKBMAPTPOLB
SCHEMBL4731314 0.86 APOBEC3A (0.33) ALDH1A1
SCHEMBL4731338 0.85 IRAK4 (0.35) MAPT
SCHEMBL4727903 0.84 MAPT (0.39) KDM4ENPSR1MAPT
SCHEMBL4732282 0.84 KDM4E (0.32) KDM4ENPSR1IKBKBMAPTALDH1A1
SCHEMBL4730991 0.82 APOBEC3A (0.33) NTRK1KDM4EHPGD
SCHEMBL4139806 0.79 KDM4E (0.36) KDM4EIKBKBHPGDSYK
SCHEMBL4139800 0.79 KDM4E (0.36) KDM4EIKBKBHPGDSYK

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