SCHEMBL6167626

SCHEMBL6167626

CCOC(=O)c1nnn(O)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.39
ALOX12 P18054 1/20 0.39
PKM P14618 1/20 0.38
ATM Q13315 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ADORA3 P0DMS8 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP19A1 P11511 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
ELANE P08246 1/20 0.37
LMNA P02545 1/20 0.37
PDE4D Q08499 1/20 0.37
HTT P42858 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
SCHEMBL3988197 0.81 FAAH (0.43) KMT2ATP53ALOX12PKMATM
SCHEMBL23516537 0.80 PKM (0.44) KMT2ATP53ALOX12PKMATM
SCHEMBL31728888 0.76 ALDH1A1 (0.37) KMT2ATP53ALOX12PKMATM
SCHEMBL4677463 0.76 PKM (0.41) KMT2ATP53ALOX12PKMATM
SCHEMBL4827391 0.75 CYP1A2 (0.48) KMT2AHSD17B10CYP1A2ALDH1A1TSHR
SCHEMBL15931725 0.75 ALDH1A1 (0.46) KMT2APKMATMHSD17B10MAPK1
SCHEMBL15020191 0.74 ALDH1A1 (0.44) KMT2APKMATMHSD17B10ALDH1A1
SCHEMBL18839921 0.73 ALDH1A1 (0.47) KMT2ATP53ALOX12PKMATM
SCHEMBL2043767 0.73 TP53 (0.55) KMT2ATP53ALOX12HSD17B10ADORA2A
SCHEMBL29254943 0.72 CA12 (0.49) KMT2ATP53ALOX12ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0964861-B1 PROCESS FOR THE PRODUCTION OF TETRAZOLYLBENZOPYRANS SMITHKLINE BEECHAM PLC (GB) 2005-04-27 EP disclosed
US-6069257-A Process for the production of tetrazolylbenzopyrans SMITHKLINE BEECHAM P.L.C. (GB) 2000-05-30 US disclosed
EP-0964861-A1 PROCESS FOR THE PRODUCTION OF TETRAZOLYLBENZOPYRANS SMITHKLINE BEECHAM PLC (GB) 1999-12-22 EP disclosed
WO-1998030559-A1 PROCESS FOR THE PRODUCTION OF TETRAZOLYLBENZOPYRANS SMITHKLINE BEECHAM PLC (GB) 1998-07-16 WO disclosed