SCHEMBL2035933

SCHEMBL2035933

c1cc2ccc3c(c2s1)CNN3

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.34

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
SCHEMBL12279072 0.59 CYP2A6 (0.40) CYP2A6
SCHEMBL15052338 0.59 CYP2A6 (0.40) CYP2A6
SCHEMBL24863487 0.57 CYP2A6 (0.39) CYP2A6
SCHEMBL22721229 0.56 ALDH1A1 (0.41) CYP2A6
SCHEMBL4419238 0.56 TNF (0.39) CYP2A6
SCHEMBL26622022 0.56 CYP2A6 (0.34) CYP2A6
SCHEMBL24984949 0.56 CYP2A6 (0.34) CYP2A6
SCHEMBL25232517 0.56 NEK1 (0.40)
SCHEMBL16101456 0.55 PARP1 (0.32)
SCHEMBL1041310 0.55 CYP2A6 (0.41) CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011077502-A1 DIHYDROTHIENO[2,3-E]INDAZOLE COMPOUND 杏林製薬株式会社 (JP) 2011-06-30 WO disclosed
JP-2010006717-A DIHYDROTHIENO[2,3-e]INDAZOLE COMPOUND KYORIN PHARMACEUT CO LTD 2010-01-14 JP disclosed