SCHEMBL29065576

SCHEMBL29065576

CCc1cc(OC(=O)N2CCNCC2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5C P41229 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
TPSAB1 Q15661 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 1/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
NOS3 P29474 1/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
PROKR1 Q8TCW9 3/20 0.38
TSHR P16473 1/20 0.37
TRPA1 O75762 2/20 0.37
MAOB P27338 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL27973539 0.80 TRPA1 (0.44) TPSAB1TPSD1TPSG1SMN1; SMN2MEN1
SCHEMBL28496076 0.80 SMN1; SMN2 (0.43) TPSAB1TPSD1TPSG1SMN1; SMN2MEN1
SCHEMBL28864238 0.76 ALDH1A1 (0.51) SMN1; SMN2MEN1MAPTHTTKMT2A
SCHEMBL24253974 0.75 SMN1; SMN2 (0.45) TPSAB1TPSD1TPSG1SMN1; SMN2MEN1
SCHEMBL1982867 0.74 KDM4E (0.47) NOS1NOS2SMN1; SMN2MAPTHTT
SCHEMBL30950209 0.72 ALDH1A1 (0.44) TPSAB1TPSD1TPSG1SMN1; SMN2MEN1
SCHEMBL30595900 0.71 ADRB1 (0.55) MEN1KMT2ATSHRMGLL
SCHEMBL28786999 0.71 LMNA (0.53) MEN1KMT2ATSHRMGLL
SCHEMBL14740643 0.70 ALDH1A1 (0.56) SMN1; SMN2MEN1MAPTHTTKMT2A
SCHEMBL653157 0.70 CYP1A2 (0.67) TPSAB1TPSD1TPSG1SMN1; SMN2MEN1

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-111566102-B Substituted pyrrolopyridines as activin receptor-like kinase inhibitors 缆图药品公司 2023-09-08 CN disclosed