SCHEMBL8536313

SCHEMBL8536313

CCc1c(C(C)=O)n[nH]c1C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.43
PDE4D Q08499 1/20 0.39
BRD4 O60885 1/20 0.38
BRPF1 P55201 1/20 0.38
EP300 Q09472 1/20 0.38
CREBBP Q92793 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3957966 0.84 HCAR2 (0.56) HCAR2
SCHEMBL7814443 0.81 PDE4D (0.58) HCAR2PDE4DMEN1CYP1A2CYP2C19
SCHEMBL9025697 0.81 KDM4E (0.43) HCAR2MEN1KMT2ALMNA
SCHEMBL11204973 0.81 KDM4C (0.49) HCAR2PDE4DCYP1A2TSHRLMNA
SCHEMBL9025654 0.77 HCAR2 (0.40) HCAR2PDE4DLMNA
SCHEMBL9037584 0.77 HCAR2 (0.36) HCAR2MEN1KMT2ALMNA
SCHEMBL9026702 0.73 NPC1 (0.44)
SCHEMBL9026160 0.73 HCAR2 (0.37) HCAR2PDE4D
SCHEMBL9026943 0.72 HCAR2 (0.72) HCAR2KMT2A
SCHEMBL9026200 0.71 CHRNB2 (0.38) HCAR2PDE4DCYP1A2L3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0823911-A1 ESTERS OF CARBAPENEMS SMITHKLINE BEECHAM PLC (GB) 1998-02-18 EP disclosed
EP-0823910-A1 ESTERS OF CARBAPENEMS SMITHKLINE BEECHAM PLC (GB) 1998-02-18 EP disclosed
WO-1996034869-A1 ESTERS OF CARBAPENEMS SMITHKLINE BEECHAM PLC (GB) 1996-11-07 WO disclosed
WO-1996034868-A1 ESTERS OF CARBAPENEMS SMITHKLINE BEECHAM PLC (GB) 1996-11-07 WO disclosed
EP-0725783-A1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1996-08-14 EP disclosed
WO-1995011905-A1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1995-05-04 WO disclosed