SCHEMBL9847101

SCHEMBL9847101

CCCc1ccc2[nH]c(C)nc2c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.42
PARP1 P09874 1/20 0.37
HTT P42858 1/20 0.35
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
RPS6KA3 P51812 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 2/20 0.32
APOBEC3A P31941 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
CBFB Q13951 1/20 0.32
ADORA3 P0DMS8 3/20 0.32
ADORA1 P30542 2/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL8016316 0.90 ADRB2 (0.40) ADRB2PARP1HTTPDE1APDE1B
SCHEMBL9847100 0.87 TYR (0.43) ADRB2PARP1HTTTSHRHSD17B10
SCHEMBL10299142 0.86 ADRB2 (0.44) ADRB2PARP1HTTPDE1APDE1B
SCHEMBL12440347 0.76 ADRB2 (0.49) ADRB2PARP1HTTPDE1APDE1B
SCHEMBL13594653 0.74 ADRB2 (0.52) ADRB2PARP1HTTPDE1APDE1B
SCHEMBL353026 0.74 CBFB (0.51) ADRB2PARP1HTTPDE1APDE1B
SCHEMBL12018402 0.72 HTT (0.42) ADRB2PARP1HTTPDE1APDE1B
SCHEMBL10299139 0.72 ADRB2 (0.42) ADRB2PARP1HTTPDE1APDE1B
SCHEMBL9847102 0.72 TYMS (0.35) PARP1HSD17B10KDM4EADORA3ADORA1
SCHEMBL28193851 0.72 HTT (0.34) PARP1HTTTSHRHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0428260-A2 Metal surface treatment agents SANWA LABORATORY LTD. (JP) 1991-05-22 EP claimed