SCHEMBL9728485

SCHEMBL9728485

Nc1nc(C2=CCCN(Cc3ccccc3)C2)c(Cl)s1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.43
KCNH2 Q12809 1/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LIMK1 P53667 1/20 0.38
ADORA1 P30542 2/20 0.37
DRD4 P21917 2/20 0.37
DRD3 P35462 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
GAA P10253 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
SCHEMBL9728829 0.90 DRD4 (0.38) DRD2ALDH1A1DRD4DRD3SIGMAR1
SCHEMBL9729439 0.90 MAOA (0.39) MEN1KMT2AALDH1A1GAA
SCHEMBL9728112 0.82 RAD52 (0.43)
SCHEMBL9728716 0.80 CHRM2 (0.41) KCNH2SIGMAR1
SCHEMBL9728521 0.79 MAPT (0.41) DRD2ALDH1A1DRD3
SCHEMBL9728399 0.77 CHRM1 (0.35)
SCHEMBL5931786 0.76 CHRM1 (0.57) SIGMAR1
SCHEMBL9728317 0.75 CHRM1 (0.55)
SCHEMBL9728927 0.73 CHRM2 (0.43) KCNH2SIGMAR1
SCHEMBL9728783 0.73 KDM4E (0.46) MEN1KMT2AALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5128340-A Thiazole derivatives AKZO N.V. (NL) 1992-07-07 US disclosed
EP-0372125-A1 Oxazole and thiazole derivatives AKZO N.V. (NL) 1990-06-13 EP disclosed
EP-0368384-A1 Thiazole derivatives AKZO N.V. (NL) 1990-05-16 EP disclosed