SCHEMBL20180252

SCHEMBL20180252

CCc1ccc2c(cnn2-c2ccncc2)c1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMO Q99835 16/20 0.59
MAPK1 P28482 3/20 0.44
CYP11B2 P19099 1/20 0.43

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
SCHEMBL836103 0.76 CYP11B2 (0.47) SMOMAPK1CYP11B2
SCHEMBL25269630 0.76 CYP11B2 (0.47) SMOMAPK1CYP11B2
SCHEMBL13662040 0.74 KCNH2 (0.39) SMO
SCHEMBL8179108 0.74 CTNNB1 (0.55)
SCHEMBL23535745 0.73 CYP11B1 (0.60) SMOMAPK1CYP11B2
SCHEMBL13634568 0.72 CACNA1H (0.44)
SCHEMBL29741044 0.72 CYP11B2 (0.51) SMOMAPK1CYP11B2
SCHEMBL30040852 0.72 SMO (0.49) SMOMAPK1CYP11B2
SCHEMBL19763367 0.72 SMO (0.58) SMOCYP11B2
SCHEMBL9986667 0.72 SMO (0.49) SMOMAPK1CYP11B2

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-2018093107-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 2018-05-24 WO disclosed