SCHEMBL8676191

SCHEMBL8676191

CCCCc1nnc2ccccc2c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.43
PARP1 P09874 1/20 0.42
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
TLR8 Q9NR97 8/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
TLR7 Q9NYK1 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL21657936 0.82 GPR3 (0.50) GPR3KDM4ECYP1A2HSD17B10ALDH1A1
SCHEMBL7836462 0.81 GPR3 (0.42) GPR3PARP1KDM4ECYP1A2CYP3A4
SCHEMBL7823737 0.81 GPR3 (0.42) GPR3PARP1KDM4ECYP1A2CYP3A4
SCHEMBL8676184 0.81 GPR3 (0.42) GPR3PARP1KDM4ECYP1A2CYP3A4
SCHEMBL19751006 0.75 TLR8 (0.54) PARP1KDM4ECYP3A4TSHRHSD17B10
SCHEMBL27832687 0.72 KDM4E (0.58) PARP1KDM4ECYP1A2CYP3A4TSHR
SCHEMBL29539238 0.71 KMT2A (0.56) GPR3PARP1KDM4ECYP1A2CYP3A4
SCHEMBL7546417 0.71 ALDH1A1 (0.51) PARP1KDM4ECYP1A2CYP3A4TSHR
SCHEMBL3731476 0.71 KDM4E (0.78) PARP1KDM4ECYP1A2CYP3A4TSHR
SCHEMBL2312001 0.70 ALDH1A1 (0.41) PARP1KDM4ETSHRALDH1A1GAA

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
US-5817674-A ANTIOTENSIN II RECEPTOR ANTAGONISTS ROUSSEL UCLAF (FR) 1998-10-06 US disclosed