SCHEMBL4686173

SCHEMBL4686173

Clc1ccc(Cc2nsc(N3CCN(C/C=C/c4ccccc4)CC3)n2)cc1.Fc1ccc(Cc2nsc(N3CCN(C/C=C/c4ccccc4)CC3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 4/20 0.47
CYP2D6 P10635 3/20 0.47
OPRM1 P35372 3/20 0.47
SIGMAR1 Q99720 3/20 0.47
HIF1A Q16665 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
MAPK1 P28482 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
THPO P40225 1/20 0.47
CACNA1G O43497 1/20 0.47
CACNA1H O95180 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
HTR1A P08908 1/20 0.47

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
SCHEMBL4686176 1.00 LMNA (0.47) LMNAMEN1KMT2AMAPTCYP2D6
SCHEMBL2007627 0.95 LMNA (0.49) LMNAMEN1KMT2ACYP2D6OPRM1
SCHEMBL2007624 0.95 LMNA (0.49) LMNAMEN1KMT2ACYP2D6OPRM1
SCHEMBL2009647 0.95 LMNA (0.51) LMNAMEN1KMT2AMAPTCYP2D6
SCHEMBL2009645 0.95 LMNA (0.51) LMNAMEN1KMT2AMAPTCYP2D6
SCHEMBL2008997 0.85 LMNA (0.49) LMNAMEN1KMT2ACYP2D6OPRM1
SCHEMBL2008995 0.85 LMNA (0.49) LMNAMEN1KMT2ACYP2D6OPRM1
SCHEMBL2012179 0.81 KDM4E (0.50) MEN1KMT2AMAPTSIGMAR1MAPK1
SCHEMBL2005831 0.80 LMNA (0.42) LMNAMEN1KMT2AMAPK1CNR1
SCHEMBL2006503 0.77 GPR183 (0.57) LMNAMEN1KMT2AMAPTKDM4E

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-1981504-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV Remynd (BE) 2008-10-22 EP claimed
WO-2007090617-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2007-08-16 WO claimed