SCHEMBL6514837

SCHEMBL6514837

COC(=O)c1ccc(NC(=O)c2cc(C(N)=O)c(NC(N)=O)s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.47
RAB9A P51151 5/20 0.46
NPC1 O15118 3/20 0.46
ATM Q13315 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MAPT P10636 3/20 0.44
IKBKB O14920 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
PTPN1 P18031 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL6505484 0.81 CHEK1 (0.55) CHEK1MEN1KMT2AIKBKBALDH1A1
SCHEMBL6511724 0.80 MAPT (0.51) CHEK1RAB9ANPC1ATMMEN1
SCHEMBL20764440 0.75 MEN1 (0.67) RAB9ANPC1ATMMEN1KMT2A
SCHEMBL6506758 0.74 IKBKB (0.50) CHEK1RAB9ANPC1MEN1KMT2A
SCHEMBL6505865 0.74 IKBKB (0.58) CHEK1MEN1KMT2AIKBKBJAK2
SCHEMBL6507152 0.73 IKBKB (0.57) CHEK1MEN1KMT2AIKBKBALDH1A1
SCHEMBL6507704 0.72 CHEK1 (0.49) CHEK1RAB9ANPC1MEN1KMT2A
SCHEMBL21446740 0.71 HDAC1 (0.58) RAB9ANPC1MEN1KMT2ARXFP1
SCHEMBL2406105 0.71 NPC1 (0.52) RAB9ANPC1ATMMEN1KMT2A
SCHEMBL6243177 0.70 NPC1 (0.72) RAB9ANPC1ATMMEN1KMT2A

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-2005105777-A1 SUBSTITUTED THIOPHENE AMIDE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA & UPJOHN COMPANY LLC (US) 2005-11-10 WO disclosed