SCHEMBL4481847

SCHEMBL4481847

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 4/20 0.47
SOS1 Q07889 1/20 0.40
SCN4A P35499 3/20 0.33
CYP1A2 P05177 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP2C9 P11712 1/20 0.33
SCN9A Q15858 1/20 0.33
GCK P35557 1/20 0.32
HPGD P15428 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALDH1A1 P00352 1/20 0.32
BRAF P15056 1/20 0.32
HDAC1 Q13547 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
F2 P00734 1/20 0.32
PLG P00747 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32

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
SCHEMBL9987740 0.86 HSPB1 (0.67) HSPB1SOS1ALDH1A1CRHBPCRHR2
SCHEMBL6031667 0.84 CA1 (0.33) HSPB1ALDH1A1MEN1MAPTKMT2A
SCHEMBL6029387 0.84 MAPT (0.42) HSPB1ALDH1A1MEN1MAPTKMT2A
SCHEMBL1720258 0.84 LTA4H (0.40) SOS1ALDH1A1MEN1MAPTKMT2A
SCHEMBL1718985 0.76 MAPT (0.53) ALDH1A1MEN1MAPTKMT2A
SCHEMBL9685496 0.76 HSPB1 (0.41) HSPB1SOS1SCN4ACYP1A2CYP2C19
SCHEMBL4477201 0.74 LMNA (0.56) CYP1A2CYP2C19CYP2C9CYP3A4ALDH1A1
SCHEMBL1719599 0.73 LMNA (0.34) ALDH1A1MEN1MAPTKMT2A
SCHEMBL28928700 0.73 HTR2A (0.40) HSPB1SOS1SCN4ASCN9AHPGD
SCHEMBL4282427 0.69 KDM4E (0.48) HSPB1CYP1A2CYP2C9HPGDCYP3A4

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