SCHEMBL9987740

SCHEMBL9987740

O=[N+]([O-])c1c[c]cc(Oc2ccc(F)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 5/20 0.67
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 2/20 0.42
SOS1 Q07889 1/20 0.41
MAPT P10636 3/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MYOC Q99972 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HTT P42858 3/20 0.39
SRD5A2 P31213 1/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4481847 0.86 HSPB1 (0.47) HSPB1MEN1KMT2AALDH1A1SOS1
SCHEMBL4282427 0.83 KDM4E (0.48) HSPB1MEN1KMT2AALDH1A1MAPT
SCHEMBL364168 0.81 HSPB1 (1.00) HSPB1MEN1KMT2AALDH1A1SOS1
SCHEMBL15911431 0.80 HSPB1 (0.71) HSPB1MEN1KMT2AALDH1A1SOS1
SCHEMBL4380440 0.79 HSPB1 (0.69) HSPB1MEN1KMT2AALDH1A1MAPT
SCHEMBL9685496 0.77 HSPB1 (0.41) HSPB1MEN1KMT2AALDH1A1SOS1
SCHEMBL15911443 0.76 HSPB1 (0.65) HSPB1MEN1KMT2AALDH1A1SOS1
SCHEMBL4481437 0.76 MEN1 (0.68) HSPB1MEN1KMT2AALDH1A1SOS1
SCHEMBL22686984 0.76 HSPB1 (0.65) HSPB1MEN1KMT2AALDH1A1MAPT
SCHEMBL28928700 0.74 HTR2A (0.40) HSPB1MEN1KMT2AALDH1A1SOS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2397462-A2 Compounds, compositions and methods of treatment for heart failure Cytokinetics, Inc. (US) 2011-12-21 EP disclosed
CN-100345823-C Compounds, compositions and methods CYTOKINETICS INC (US) 2007-10-31 CN disclosed
CN-1738793-A Compounds, compositions and methods CYTOKINETICS INC (US) 2006-02-22 CN disclosed