SCHEMBL6448712

SCHEMBL6448712

CCOC(=O)Nc1ccc(CCNc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 4/20 0.50
KCNQ3 O43525 3/20 0.50
KCNQ4 P56696 2/20 0.47
KCNQ5 Q9NR82 2/20 0.47
ALDH1A1 P00352 3/20 0.46
RORC P51449 2/20 0.46
MAPK1 P28482 1/20 0.45
MAPT P10636 7/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
THRB P10828 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
PKM P14618 2/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
CRHBP P24387 1/20 0.43
RAB9A P51151 1/20 0.43
CRHR2 Q13324 1/20 0.43
GAA P10253 1/20 0.43
ALOX12 P18054 1/20 0.43

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
SCHEMBL6004798 0.91 KCNQ2 (0.56) KCNQ2KCNQ3KCNQ4KCNQ5ALDH1A1
SCHEMBL6389065 0.88 MAPT (0.53) KCNQ2KCNQ3KCNQ4KCNQ5ALDH1A1
SCHEMBL8966006 0.87 KCNQ2 (0.58) KCNQ2KCNQ3KCNQ4KCNQ5ALDH1A1
SCHEMBL4972519 0.84 KCNQ2 (0.59) KCNQ2KCNQ3KCNQ4KCNQ5RORC
SCHEMBL6003001 0.82 MAPT (0.51) KCNQ2KCNQ3KCNQ4KCNQ5ALDH1A1
SCHEMBL6004889 0.81 THRB (0.51) KCNQ2KCNQ3KCNQ4KCNQ5MAPT
SCHEMBL6005439 0.80 KCNQ2 (0.64) KCNQ2KCNQ3KCNQ4KCNQ5ALDH1A1
SCHEMBL6004318 0.80 MAPT (0.46) KCNQ2KCNQ3KCNQ4KCNQ5ALDH1A1
SCHEMBL6005020 0.79 KCNQ3 (0.52) KCNQ2KCNQ3KCNQ4KCNQ5ALDH1A1
SCHEMBL20133927 0.79 THRB (0.53) KCNQ2KCNQ3KCNQ4KCNQ5ALDH1A1

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-1606247-A1 SUBSTITUTED ANILINE DERIVATIVES H. Lundbeck A/S (DK) 2005-12-21 EP disclosed
WO-2004080950-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2004-09-23 WO disclosed