SCHEMBL4732282

SCHEMBL4732282

COC(=O)c1sc(-c2ccc(-c3cc4ncccn4n3)cc2)cc1N(C(=O)c1ccc(Br)cc1C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
IKBKB O14920 1/20 0.32

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
SCHEMBL4731338 0.92 IRAK4 (0.35) MAPTIRAK4
SCHEMBL4732555 0.92 APOBEC3A (0.34) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL4727903 0.86 MAPT (0.39) KDM4ENPC1RAB9AMAPTKMT2A
SCHEMBL4730446 0.85 KDM4E (0.38) KDM4ENPC1RAB9AMAPTKMT2A
SCHEMBL4731297 0.84 TP53 (0.34) KDM4EMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL4731299 0.84 APOBEC3A (0.35)
SCHEMBL4731374 0.84 NTRK1 (0.34) KDM4EMAPTHPGDIKBKBALDH1A1
SCHEMBL4732922 0.83 CYP1A2 (0.44) KDM4ENPC1RAB9AMAPTMEN1
SCHEMBL4140062 0.79 KDM4E (0.38) KDM4ENPC1RAB9AMAPTHPGD
SCHEMBL4140069 0.79 KDM4E (0.38) KDM4ENPC1RAB9AMAPTHPGD

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