SCHEMBL30899650

SCHEMBL30899650

O=C(OCc1ccccc1)N1CC=C(c2ccc(Cl)cn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.52
LNPEP Q9UIQ6 1/20 0.47
PRMT1 Q99873 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PRMT5 O14744 1/20 0.43
EED O75530 1/20 0.43
RBBP4 Q09028 1/20 0.43
SUZ12 Q15022 1/20 0.43
EZH2 Q15910 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NAMPT P43490 1/20 0.43
CNR1 P21554 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.42
CYP2C19 P33261 1/20 0.41
BTK Q06187 2/20 0.41
GRIN2B Q13224 1/20 0.41

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
SCHEMBL30365847 1.00 GRM5 (0.52) GRM5LNPEPPRMT1MEN1KMT2A
SCHEMBL169492 0.92 GRM5 (0.48) GRM5LNPEPPRMT1MEN1KMT2A
SCHEMBL13490526 0.88 GRM5 (0.53) GRM5LNPEPPRMT1MEN1KMT2A
SCHEMBL171485 0.87 GRM5 (0.52) GRM5LNPEPPRMT1MEN1KMT2A
SCHEMBL1577496 0.87 GRM5 (0.52) GRM5LNPEPPRMT1MEN1KMT2A
SCHEMBL171369 0.87 GRM5 (0.52) GRM5LNPEPPRMT1MEN1KMT2A
SCHEMBL13490532 0.87 GRM5 (0.52) GRM5LNPEPPRMT1MEN1KMT2A
SCHEMBL13490533 0.85 GRM5 (0.50) GRM5LNPEPPRMT1MEN1KMT2A
SCHEMBL13490670 0.85 GRM5 (0.52) GRM5LNPEPPRMT1MEN1KMT2A
SCHEMBL4010552 0.84 GRM5 (0.64) GRM5LNPEPPRMT1MEN1KMT2A

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