SCHEMBL9728521

SCHEMBL9728521

C=CCN1CCC=C(c2nc(N)sc2Cl)C1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
ADRA2A P08913 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
HTR2A P28223 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
OPRK1 P41145 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAD52 P43351 1/20 0.40

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
SCHEMBL9728112 0.83 RAD52 (0.43) RAD52
SCHEMBL9728716 0.81 CHRM2 (0.41) ADRA2AADRA2BADRA2C
SCHEMBL9728829 0.79 DRD4 (0.38) DRD2DRD3KDM4EALDH1A1
SCHEMBL9728485 0.79 DRD2 (0.43) DRD2DRD3ALDH1A1
SCHEMBL9728399 0.78 CHRM1 (0.35)
SCHEMBL9728317 0.76 CHRM1 (0.55)
SCHEMBL3260581 0.75 MAPT (0.42) MAPTLMNAADRA2ADRD2ADRA2B
SCHEMBL25426350 0.66 CHEK1 (0.38) ADRA2AADRA2BADRA2CHTR2A
SCHEMBL10767827 0.65 OPRD1 (0.44) LMNAADRA2ADRD2ADRA2BADRA2C
SCHEMBL9729003 0.64 CHRM2 (0.40) ADRA2AADRA2BADRA2C

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