SCHEMBL6958613

SCHEMBL6958613

Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc3C2C)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.37
NPSR1 Q6W5P4 3/20 0.36
RAB9A P51151 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MET P08581 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 4/20 0.35
GAA P10253 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PIN1 Q13526 2/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34
HSP90AA1 P07900 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.33
TUBB4A P04350 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
SCHEMBL6955513 0.94 NPSR1 (0.36) MAPTNPSR1RAB9AHTTSMN1; SMN2
SCHEMBL6958506 0.91 SMN1; SMN2 (0.39) MAPTNPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL6962207 0.90 SMN1; SMN2 (0.38) NPSR1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL6961412 0.90 SMN1; SMN2 (0.37) MAPTNPSR1HTTSMN1; SMN2KMT2A
SCHEMBL6957959 0.89 SMN1; SMN2 (0.38) MAPTNPSR1RAB9ASMN1; SMN2MEN1
SCHEMBL6964622 0.88 SMN1; SMN2 (0.37) NPSR1SMN1; SMN2
SCHEMBL6957189 0.88 SMN1; SMN2 (0.37) MAPTNPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL6959003 0.88 TP53 (0.41) MAPTNPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL6958365 0.87 MAPT (0.38) MAPTNPSR1SMN1; SMN2KMT2ATP53
SCHEMBL6961241 0.87 HTR2A (0.36) MAPTNPSR1RAB9ASMN1; SMN2ALDH1A1

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
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