SCHEMBL9728829

SCHEMBL9728829

Nc1nc(C2=CCCN(Cc3ccc(Cl)cc3)C2)c(Cl)s1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
LSS P48449 2/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL9728485 0.90 DRD2 (0.43) DRD4DRD2DRD3ALDH1A1SIGMAR1
SCHEMBL9728716 0.82 CHRM2 (0.41) SIGMAR1
SCHEMBL9728112 0.82 RAD52 (0.43)
SCHEMBL9729439 0.80 MAOA (0.39) KDM4EALDH1A1
SCHEMBL10699109 0.79 LTA4H (0.41) DRD4LSS
SCHEMBL9728521 0.79 MAPT (0.41) DRD2DRD3KDM4EALDH1A1
SCHEMBL9728399 0.77 CHRM1 (0.35)
SCHEMBL9728317 0.75 CHRM1 (0.55)
SCHEMBL9728494 0.68 CHRM2 (0.45) SIGMAR1
SCHEMBL9728927 0.68 CHRM2 (0.43) SIGMAR1

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