SCHEMBL8218950

SCHEMBL8218950

CC1(C)C=Cc2cc(C3=NCCN3)ccc2O1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 13/20 0.51
TOP2A P11388 1/20 0.42
TOP2B Q02880 1/20 0.42
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42
HTR1D P28221 1/20 0.41
ADRA1A P35348 1/20 0.41

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
SCHEMBL9092974 0.72 HIF1A (0.46) HIF1AEPAS1
SCHEMBL8216793 0.72 NISCH (0.49) NISCH
SCHEMBL9092213 0.69 HIF1A (0.44) HIF1AEPAS1
SCHEMBL6984727 0.69 RAB9A (0.41) HIF1AEPAS1
SCHEMBL9091985 0.68 HIF1A (0.45) HIF1AEPAS1
SCHEMBL5476725 0.67 NISCH (0.79) NISCHTOP2ATOP2BHTR1DADRA1A
SCHEMBL7738844 0.67 HIF1A (0.58) HIF1AEPAS1
SCHEMBL9092543 0.67 HIF1A (0.44) HIF1AEPAS1
SCHEMBL13135587 0.66 NISCH (0.86) NISCH
SCHEMBL6024450 0.66 HTR2C (0.54) HIF1AEPAS1

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
WO-2000078724-A2 IMIDAZOLINDERIVATIVES THEIR PREPARATION AND THEIR PHARMACEUTICAL USE ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed