SCHEMBL2580465

SCHEMBL2580465

CCCCC(CC)Cn1nc2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 3/20 0.46
GAA P10253 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
TSHR P16473 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
XBP1 P17861 1/20 0.44
PPARG P37231 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
CYP3A4 P08684 2/20 0.41
CA2 P00918 1/20 0.41
TP53 P04637 1/20 0.38
LMNA P02545 1/20 0.38
PDE2A O00408 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
SCHEMBL21377587 0.81 ALDH1A1 (0.35) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL31497297 0.80 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL19917333 0.78 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL18723212 0.78 TLR8 (0.46) ALDH1A1MAPTKMT2AMEN1TP53
SCHEMBL27396558 0.78 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL18723110 0.78 TLR8 (0.46) ALDH1A1MAPTKMT2AMEN1TP53
SCHEMBL8108527 0.76 SMN1; SMN2 (0.63) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL11819987 0.75 GAA (0.48) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL30157326 0.74 ADA (0.44) HPGDGAAPPARGTLR8SMN1; SMN2
SCHEMBL26803455 0.74 ALDH1A1 (0.34) ALDH1A1KDM4EHPGDGAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113929878-A Copolymer of EDOT and (hetero) arene and application thereof 成都信息工程大学 2022-01-14 CN claimed
CN-113817141-A Copolymer of EDOT and (hetero) arene and preparation method thereof 成都信息工程大学 2021-12-21 CN claimed
CN-108191782-A The preparation method of a kind of monosubstituted benzotriazole small molecule 桂林理工大学 2018-06-22 CN claimed
CN-108735650-B Dicing die bonding film 日东电工株式会社 2023-08-04 CN disclosed
CN-113929878-A Copolymer of EDOT and (hetero) arene and application thereof 成都信息工程大学 2022-01-14 CN disclosed
CN-113817141-A Copolymer of EDOT and (hetero) arene and preparation method thereof 成都信息工程大学 2021-12-21 CN disclosed
CN-108191782-A The preparation method of a kind of monosubstituted benzotriazole small molecule 桂林理工大学 2018-06-22 CN disclosed
EP-2382259-A2 PHI-CONJUGATED LOW-BAND-GAP COPOLYMERS CONTAINING BENZOTRIAZOLE UNITS ENI S.p.A. (IT) 2011-11-02 EP disclosed
WO-2010046114-A2 π-CONJUGATED LOW-BAND-GAP COPOLYMERS CONTAINING BENZOTRIAZOLE UNITS ENI S.P.A. (IT) 2010-04-29 WO disclosed