SCHEMBL7646944

SCHEMBL7646944

Cc1cc(N(C)C(=N)Nc2cccc3ccccc23)ccc1F.Cc1cccc(N(C)C(=N)Nc2cccc3ccccc23)c1F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
RAB9A P51151 4/20 0.39
NPC1 O15118 4/20 0.39
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NOX1 Q9Y5S8 1/20 0.38
SIGMAR1 Q99720 3/20 0.36
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL6727972 0.91 KMT2A (0.49) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL6720855 0.89 SIGMAR1 (0.44) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL9115127 0.79 SIGMAR1 (0.49) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL6724187 0.77 MEN1 (0.46) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL8337122 0.75 SIGMAR1 (0.49) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL6724190 0.75 SIGMAR1 (0.62) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL6724380 0.75 MEN1 (0.41) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL6724109 0.75 SIGMAR1 (0.52) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL6721320 0.74 ALDH1A1 (0.44) MEN1KMT2ARAB9ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL7415149 0.74 SIGMAR1 (0.60) MEN1KMT2ARAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0517852-B1 TRI- AND TETRA-SUBSTITUTED GUANIDINES AND THEIR USE AS EXCITATORY AMINO ACID ANTAGONISTS OREGON STATE (US) 2002-07-10 EP disclosed