SCHEMBL6970438

SCHEMBL6970438

Cc1c(COC(=O)C2CCC2)nc(Nc2ccc(F)cc2)nc1N1CCc2ccccc2C1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
GLA P06280 1/20 0.34
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNH3 Q9ULD8 1/20 0.33
MARK3 P27448 1/20 0.33
CHRM3 P20309 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
SCHEMBL6957644 0.98 ALDH1A1 (0.39) GAAUSP2ALDH1A1SMN1; SMN2LMNA
SCHEMBL6963630 0.97 GAA (0.36) GAAUSP2ALDH1A1SMN1; SMN2LMNA
SCHEMBL6967711 0.90 TRPC3 (0.37) LMNATSHRNPSR1HPGDMAPK1
SCHEMBL6967410 0.88 KCNH3 (0.34) GAAALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL6967941 0.88 TRPC3 (0.34) SMN1; SMN2LMNATSHRNPSR1HPGD
SCHEMBL6963603 0.88 KCNH3 (0.36) GAAALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL6954449 0.87 NOTUM (0.36) GAAUSP2ALDH1A1SMN1; SMN2LMNA
SCHEMBL6958921 0.86 DRD1 (0.36) LMNANPSR1MAPTKDM4EKMT2A
SCHEMBL6955983 0.86 EGFR (0.39) ALDH1A1LMNATSHRNPSR1HPGD
SCHEMBL6962206 0.86 MAPT (0.36) ALDH1A1SMN1; SMN2TSHRNPSR1MAPK1

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-1015444-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2003-05-28 EP disclosed
US-6352993-B1 ANTIULCER AGENTS YUHAN CORPORATION (KR) 2002-03-05 US disclosed
EP-1015444-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION, LTD. (KR) 2000-07-05 EP disclosed
WO-1998043968-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 1998-10-08 WO disclosed