SCHEMBL9728509

SCHEMBL9728509

Nc1nc(C2=CCCN(CCc3ccccn3)C2)c(Cl)s1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.39
TP53 P04637 1/20 0.39
DRD2 P14416 1/20 0.38
KCNH2 Q12809 1/20 0.38
PTPN2 P17706 1/20 0.36
PTPN1 P18031 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
SCHEMBL9729439 0.85 MAOA (0.39)
SCHEMBL9728485 0.79 DRD2 (0.43) DRD2KCNH2
SCHEMBL9728716 0.79 CHRM2 (0.41) KCNH2
SCHEMBL9728112 0.76 RAD52 (0.43)
SCHEMBL9728399 0.76 CHRM1 (0.35)
SCHEMBL9728521 0.73 MAPT (0.41) DRD2
SCHEMBL9728317 0.72 CHRM1 (0.55)
SCHEMBL9728783 0.69 KDM4E (0.46)
SCHEMBL16026529 0.66 THRB (0.61) THRBTP53
SCHEMBL29922137 0.66 THRB (0.61) THRBTP53

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
US-5128340-A Thiazole derivatives AKZO N.V. (NL) 1992-07-07 US disclosed
EP-0368384-A1 Thiazole derivatives AKZO N.V. (NL) 1990-05-16 EP disclosed