SCHEMBL15716634

SCHEMBL15716634

Cn1cc(Br)c2sc(CN3CCCN(C(=O)O)CC3)cc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
BRD4 O60885 2/20 0.37
GRIN2B Q13224 2/20 0.34
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
BRD9 Q9H8M2 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
FAAH O00519 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CHKA P35790 1/20 0.32
KCNH2 Q12809 1/20 0.32
PKM P14618 1/20 0.31
STAT1 P42224 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL15716909 0.87 BRD4 (0.42) L3MBTL1BRD4KDM4EALDH1A1TDP1
SCHEMBL18129934 0.86 PARP1 (0.40) L3MBTL1BRD4
SCHEMBL15716821 0.86 KDM4E (0.45) BRD4KDM4EALDH1A1TDP1SMN1; SMN2
SCHEMBL15716545 0.85 BRD4 (0.44) L3MBTL1BRD4KDM4EALDH1A1TDP1
SCHEMBL15716820 0.82 KDM4E (0.39) L3MBTL1BRD4KDM4EALDH1A1TDP1
SCHEMBL18598777 0.82 CA12 (0.40) L3MBTL1BRD4LMNA
SCHEMBL15716945 0.81 PIK3CD (0.33) L3MBTL1BRD4KDM4EALDH1A1BRD9
SCHEMBL15716555 0.81 KCNH2 (0.41) BRD4KDM4ESMN1; SMN2KCNH2HSD17B10
SCHEMBL15716757 0.80 KCNH2 (0.41) BRD4KDM4ETDP1SMN1; SMN2KCNH2
SCHEMBL15716674 0.80 BRD4 (0.33) BRD4

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
EP-2920183-A1 THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS Glaxosmithkline LLC (US) 2015-09-23 EP disclosed
WO-2014078257-A1 THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-05-22 WO disclosed