SCHEMBL6955513

SCHEMBL6955513

Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3C2C)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MET P08581 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 8/20 0.35
ALDH1A1 P00352 4/20 0.35
HTT P42858 2/20 0.35
RAB9A P51151 2/20 0.35
GAA P10253 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
PIN1 Q13526 2/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
HSP90AA1 P07900 1/20 0.34
TP53 P04637 1/20 0.34
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR1F P30939 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
SCHEMBL6958613 0.94 MAPT (0.37) NPSR1SMN1; SMN2METL3MBTL1MAPT
SCHEMBL6954411 0.91 SMN1; SMN2 (0.39) NPSR1SMN1; SMN2MAPTGAALMNA
SCHEMBL6970019 0.90 SMN1; SMN2 (0.37) NPSR1SMN1; SMN2MAPTALDH1A1RAB9A
SCHEMBL6966918 0.87 SMN1; SMN2 (0.36) NPSR1SMN1; SMN2MAPTALDH1A1RAB9A
SCHEMBL6957761 0.87 TP53 (0.40) NPSR1SMN1; SMN2MAPTTP53HTR1A
SCHEMBL6966508 0.86 KMT2A (0.37) NPSR1SMN1; SMN2L3MBTL1MAPTTP53
SCHEMBL6958506 0.85 SMN1; SMN2 (0.39) NPSR1SMN1; SMN2MAPTLMNATP53
SCHEMBL6961033 0.84 SRD5A1 (0.36) SMN1; SMN2
SCHEMBL6962207 0.84 SMN1; SMN2 (0.38) NPSR1SMN1; SMN2LMNATP53HTR1A
SCHEMBL6958474 0.84 RORC (0.36) NPSR1SMN1; SMN2L3MBTL1MAPTTDP1

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 5 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 claimed
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