SCHEMBL30899653

SCHEMBL30899653

C=Cc1cc(Cl)cnc1C1=CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.48
▸ LNPEP Q9UIQ6 1/20 0.45
▸ BTK Q06187 2/20 0.44
▸ PRMT1 Q99873 1/20 0.41
▸ EED O75530 1/20 0.40
▸ RBBP4 Q09028 1/20 0.40
▸ SUZ12 Q15022 1/20 0.40
▸ EZH2 Q15910 1/20 0.40
▸ TGM2 P21980 2/20 0.40
▸ TGM1 P22735 2/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ TRPV1 Q8NER1 2/20 0.39
▸ PTGDR2 Q9Y5Y4 5/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ F13A1 P00488 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
SCHEMBL30365855 1.00 GRM5 (0.48) GRM5LNPEPBTKPRMT1EED
SCHEMBL30899648 0.86 GRM5 (0.48) GRM5LNPEPBTKPRMT1EED
SCHEMBL30366090 0.86 GRM5 (0.48) GRM5LNPEPBTKPRMT1EED
SCHEMBL30365846 0.82 GRM5 (0.44) GRM5LNPEPBTKTMEM97SIGMAR1
SCHEMBL30899652 0.82 GRM5 (0.44) GRM5LNPEPBTKTMEM97SIGMAR1
SCHEMBL30365847 0.79 GRM5 (0.52) GRM5LNPEPBTKPRMT1EED
SCHEMBL30899650 0.79 GRM5 (0.52) GRM5LNPEPBTKPRMT1EED
SCHEMBL32677104 0.77 GRM5 (0.53) GRM5LNPEPBTKPRMT1EED
SCHEMBL8315932 0.75 MEN1 (0.57) GRM5LNPEPPRMT1MEN1KMT2A
SCHEMBL169492 0.74 GRM5 (0.48) GRM5LNPEPPRMT1EEDRBBP4

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
CN-118076604-A Pyrazolo [3,4-b ] pyridine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2024-05-24 — — CN disclosed
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