SCHEMBL6614403

SCHEMBL6614403

N#C/N=C(/N)Nc1cc(F)ccc1F.Nc1cc(F)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.38
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 2/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
HDAC3 O15379 3/20 0.33
LMNA P02545 1/20 0.33
HDAC2 Q92769 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL6614405 1.00 HDAC1 (0.38) HDAC1ALDH1A1TSHRMEN1KMT2A
SCHEMBL4685491 0.93 ALDH1A1 (0.39) HDAC1ALDH1A1TSHRMEN1KMT2A
SCHEMBL4685493 0.93 ALDH1A1 (0.39) HDAC1ALDH1A1TSHRMEN1KMT2A
SCHEMBL6406473 0.80 USP30 (0.39) ALDH1A1KMT2ALMNA
SCHEMBL6406477 0.80 USP30 (0.39) ALDH1A1KMT2ALMNA
SCHEMBL4682177 0.74 SIGMAR1 (0.49) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4682176 0.74 SIGMAR1 (0.49) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6406308 0.69 MAPT (0.36) KMT2AMAPTPOLB
SCHEMBL6405683 0.69 MAPT (0.36) KMT2AMAPTPOLB
SCHEMBL4678380 0.69 TSHR (0.52) ALDH1A1TSHRMEN1KMT2AMAPT

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-1392655-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2004-03-03 EP disclosed
WO-2002062762-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO disclosed