SCHEMBL8337461

SCHEMBL8337461

CCc1ccccc1N(C(=N)N)c1cccc(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.39
SIGMAR1 Q99720 3/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PAX8 Q06710 2/20 0.36
JAK2 O60674 1/20 0.36
HTT P42858 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
TP53 P04637 1/20 0.35
GPX4 P36969 1/20 0.35
PTGIR P43119 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
PARP1 P09874 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
NLRP3 Q96P20 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
SCHEMBL8399203 0.86 SIGMAR1 (0.49) SIGMAR1MEN1KMT2ATP53LMNA
SCHEMBL10404786 0.82 LMNA (0.40) SIGMAR1MEN1KMT2AALDH1A1HTT
SCHEMBL5557095 0.80 SIGMAR1 (0.47) SIGMAR1ALDH1A1NPC1RAB9APAX8
SCHEMBL29278837 0.79 SIGMAR1 (0.44) SIGMAR1ALDH1A1NPC1RAB9APAX8
SCHEMBL8401055 0.74 LMNA (0.36) SIGMAR1ALDH1A1TAAR1LMNA
SCHEMBL29285010 0.72 GABRA1 (0.39) SIGMAR1MEN1KMT2AALDH1A1HTT
SCHEMBL8843004 0.71 SIGMAR1 (0.64) SIGMAR1MEN1KMT2ATP53LMNA
SCHEMBL8332943 0.71 SIGMAR1 (0.52) SIGMAR1MEN1KMT2ATP53LMNA
SCHEMBL6719598 0.70 SIGMAR1 (0.42) SIGMAR1MEN1KMT2ATP53LMNA
SCHEMBL4606083 0.70 PARP1 (0.52) SIGMAR1MEN1KMT2AALDH1A1NPC1

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