SCHEMBL27705784

SCHEMBL27705784

BrCCc1ccc2cccnc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.48
ALDH1A1 P00352 1/20 0.44
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SUCNR1 Q9BXA5 11/20 0.43
OXGR1 Q96P68 1/20 0.40
GMNN O75496 1/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MMP2 P08253 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
MMP9 P14780 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
MMP8 P22894 1/20 0.39

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
SCHEMBL2009161 0.85 CCR1 (0.48) PDE10AALDH1A1KDM4ELMNAMEN1
SCHEMBL12895009 0.83 PDE10A (0.49) PDE10AALDH1A1KDM4ELMNAMEN1
SCHEMBL23083184 0.81 PDE10A (0.49) PDE10AALDH1A1KDM4ELMNAMEN1
SCHEMBL28337161 0.81 PDE10A (0.48) PDE10AALDH1A1KDM4ELMNAMEN1
SCHEMBL20156313 0.81 HRH1 (0.50) PDE10AALDH1A1KDM4ELMNAMEN1
SCHEMBL276117 0.79 SUCNR1 (0.50) PDE10AALDH1A1KDM4ELMNAMEN1
SCHEMBL6129289 0.79 KCNH2 (0.55) PDE10AALDH1A1SUCNR1OXGR1TDP1
SCHEMBL6899530 0.79 SUCNR1 (0.47) PDE10AALDH1A1SUCNR1OXGR1
SCHEMBL4823229 0.79 ALDH1A1 (0.48) PDE10AALDH1A1KDM4ELMNAMEN1
SCHEMBL21784747 0.77 PDE10A (0.46) PDE10AALDH1A1KDM4ELMNAMEN1

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
CN-101128491-B Polymerization catalyst composition and method for producing polymer MITSUI CHEMICALS INC 2010-09-08 CN disclosed
CN-101128491-A Polymerization catalyst composition and method for producing polymer MITSUI CHEMICALS INC (JP) 2008-02-20 CN disclosed