SCHEMBL7723010

SCHEMBL7723010

CCOCc1cnc(C)cc1N

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.42
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
SLC6A2 P23975 8/20 0.35
SLC6A4 P31645 8/20 0.35
SLC6A3 Q01959 8/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL8934135 0.79 NOS3 (0.53) UHRF1NOS3NOS1NOS2SLC6A2
SCHEMBL28198255 0.75 UHRF1 (0.50) UHRF1NOS3NOS1NOS2LMNA
Hydrochloric Acid SCHEMBL8585446 0.74 NOS3 (0.62) NOS3NOS1NOS2LMNAKDM4E
SCHEMBL10330646 0.73 UHRF1 (0.48) UHRF1NOS3NOS1NOS2LMNA
SCHEMBL7724215 0.71 LMNA (0.69) LMNATSHRKDM4EALDH1A1
SCHEMBL22897579 0.70 TDP1 (0.45) SLC6A2SLC6A4SLC6A3KDM4EALDH1A1
SCHEMBL25908641 0.70 UHRF1 (0.45) UHRF1NOS3NOS1NOS2LMNA
SCHEMBL11396782 0.69 DHFR (0.54)
SCHEMBL2135557 0.68 ALDH1A1 (0.42) LMNATSHRKDM4EALDH1A1HPGD
SCHEMBL487644 0.68 TSHR (0.39) LMNATSHR

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
US-6420367-B1 RAS GENE SHIONOGO & CO., LTD. (JP) 2002-07-16 US disclosed
EP-1097933-A1 PYRIMIDINE DERIVATIVES EXHIBITING ANTITUMOR ACTIVITY SHIONOGI & CO., LTD. (JP) 2001-05-09 EP disclosed