SCHEMBL4478258

SCHEMBL4478258

O=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)c1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
SMN1; SMN2 Q16637 7/20 0.56
MAPT P10636 7/20 0.56
HTT P42858 3/20 0.56
ALDH1A1 P00352 5/20 0.53
LMNA P02545 7/20 0.52
KDM4E B2RXH2 1/20 0.52
MITF O75030 3/20 0.52
S1PR4 O95977 1/20 0.52
S1PR1 P21453 1/20 0.52
NTSR1 P30989 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
POLB P06746 2/20 0.50
MMP13 P45452 1/20 0.50
S1PR2 O95136 1/20 0.50
THRB P10828 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPK1 P28482 1/20 0.49
CYP3A4 P08684 2/20 0.48

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
SCHEMBL17104295 0.85 SMN1; SMN2 (0.69) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL8349308 0.82 MEN1 (0.58) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL4479971 0.81 MEN1 (0.55) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL17104322 0.76 MEN1 (0.48) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL4281848 0.75 LMNA (0.62) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL17104327 0.75 MEN1 (0.47) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL6396333 0.74 LMNA (0.79) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL22686988 0.74 RAB9A (0.55) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL15055075 0.73 HSPB1 (0.55) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL4481435 0.73 HSPB1 (0.58) MEN1KMT2ASMN1; SMN2MAPTHTT

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-1503986-B1 COMPOSITIONS AND METHODS FOR TREATING HEART FAILURE CYTOKINETICS INC (US) 2015-09-30 EP claimed
US-7605164-B2 Compositions and methods for treating heart failure CYTOKINETICS, INC. (US) 2009-10-20 US claimed