SCHEMBL8337122

SCHEMBL8337122

Cc1cc(NC(=N)N(C)c2cccc3ccccc23)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.49
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL6719727 0.84 SIGMAR1 (0.46) SIGMAR1MEN1KMT2ANPC1TRPV1
SCHEMBL6716960 0.78 KMT2A (0.60) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL6720634 0.78 MEN1 (0.51) SIGMAR1MEN1KMT2AMAPTRAB9A
SCHEMBL6725035 0.76 SIGMAR1 (0.62) SIGMAR1MEN1KMT2AMAPT
SCHEMBL6719248 0.76 SIGMAR1 (0.50) SIGMAR1MEN1KMT2ANPC1MAPT
SCHEMBL6720746 0.76 SIGMAR1 (0.47) SIGMAR1MEN1KMT2AMAPTRAB9A
SCHEMBL7646944 0.75 MEN1 (0.42) SIGMAR1MEN1KMT2ANPC1MAPT
SCHEMBL6727972 0.75 KMT2A (0.49) MEN1KMT2ANPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL7410846 0.75 SIGMAR1 (0.60) SIGMAR1MEN1KMT2AMAPT
SCHEMBL8191439 0.75 SIGMAR1 (0.46) SIGMAR1MEN1KMT2ANPC1MAPT

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
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO claimed