SCHEMBL6984326

SCHEMBL6984326

CCOC(=O)c1cnc(N2CCCC2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
POLB P06746 2/20 0.57
OGA O60502 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ACACB O00763 1/20 0.47
PDE4B Q07343 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
PIK3CA P42336 1/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 2/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 3/20 0.44
TP53 P04637 1/20 0.44
USP2 O75604 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
P2RY12 Q9H244 1/20 0.44

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
SCHEMBL25678417 0.98 MAPT (0.56) MAPTPOLBOGAMEN1KMT2A
SCHEMBL12952642 0.97 POLB (0.54) MAPTPOLBOGAMEN1KMT2A
SCHEMBL24881185 0.88 OGA (0.54) MAPTPOLBOGAMEN1KMT2A
SCHEMBL15038302 0.88 HDAC3 (0.56) MAPTPOLBOGAMEN1KMT2A
SCHEMBL386644 0.87 OGA (0.50) MAPTPOLBOGAACACBPIK3CA
SCHEMBL20552861 0.87 OGA (0.53) MAPTPOLBOGAMEN1KMT2A
SCHEMBL8194207 0.87 OGA (0.53) MAPTPOLBOGAMEN1KMT2A
SCHEMBL4580075 0.87 POLB (0.61) MAPTPOLBOGAMEN1KMT2A
SCHEMBL4211279 0.85 OGA (0.49) MAPTPOLBOGAACACBPIK3CA
Hydrochloric Acid SCHEMBL21528010 0.85 OGA (0.49) MAPTPOLBOGAACACBPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1093367-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP claimed
EP-1093367-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-25 EP claimed
WO-1999066925-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-29 WO claimed
EP-4169575-A1 CONDENSED RING COMPOUNDS THAT INHIBIT H-PGDS Sato Pharmaceutical Co., Ltd. (JP) 2023-04-26 EP disclosed
EP-4166550-A1 PHTHALAZINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2023-04-19 EP disclosed
WO-2016083816-A1 N-((HETEROARYLMETHYL)-HETEROARYL-CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-06-02 WO disclosed
WO-2008109994-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-09-18 WO disclosed