SCHEMBL12643258

SCHEMBL12643258

CCn1cc2c(n1)CCC(=O)C2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CYP2A6 P11509 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 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
SCHEMBL21484092 0.77 CYP2A6 (0.36) HTTGAACYP2A6ALDH1A1
SCHEMBL21562913 0.74 KMT2A (0.41) HTTGAAKMT2AL3MBTL1TSHR
SCHEMBL17682605 0.74 HTT (0.54) HTTGAAKMT2ATSHRSMN1; SMN2
SCHEMBL18896278 0.74 HTT (0.59) HTTGAAKMT2ATSHRSMN1; SMN2
SCHEMBL21562909 0.73 KMT2A (0.39) HTTGAAKMT2AL3MBTL1TSHR
SCHEMBL12691665 0.69 CYP2C19 (0.41) HTTGAAKMT2ATSHRALDH1A1
SCHEMBL12489633 0.69 HTR2C (0.48) HTTGAAKMT2ASMN1; SMN2POLB
SCHEMBL16888281 0.68 RORC (0.35) HTTGAAKMT2ATSHRSMN1; SMN2
SCHEMBL20333665 0.67 HTT (0.40) HTTGAAKMT2ATSHRSMN1; SMN2
SCHEMBL12425838 0.67 HPGD (0.40) GAAL3MBTL1TSHRSMN1; SMN2ALDH1A1

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-2011077502-A1 DIHYDROTHIENO[2,3-E]INDAZOLE COMPOUND 杏林製薬株式会社 (JP) 2011-06-30 WO disclosed