SCHEMBL30501034

SCHEMBL30501034

Cc1c(C(N)=O)cc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
LMNA P02545 6/20 0.55
CNR2 P34972 2/20 0.51
EDNRB P24530 3/20 0.48
EDNRA P25101 2/20 0.48
MAPT P10636 3/20 0.48
KMT2A Q03164 4/20 0.47
HSD17B10 Q99714 3/20 0.47
MEN1 O00255 3/20 0.47
KDM4E B2RXH2 1/20 0.47
CASP1 P29466 1/20 0.47
ALDH1A1 P00352 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ALOX15 P16050 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47

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
SCHEMBL20386134 1.00 TSHR (0.55) TSHRSMN1; SMN2LMNACNR2EDNRB
SCHEMBL20386120 0.91 SMN1; SMN2 (0.55) TSHRSMN1; SMN2LMNAEDNRBEDNRA
SCHEMBL30501032 0.91 SMN1; SMN2 (0.55) TSHRSMN1; SMN2LMNAEDNRBEDNRA
SCHEMBL20379154 0.89 LMNA (0.53) TSHRSMN1; SMN2LMNAEDNRBEDNRA
SCHEMBL20379069 0.89 LMNA (0.53) TSHRSMN1; SMN2LMNACNR2EDNRB
SCHEMBL21387799 0.80 SMN1; SMN2 (0.49) TSHRSMN1; SMN2LMNAEDNRBEDNRA
SCHEMBL28330093 0.77 SMN1; SMN2 (0.48) TSHRSMN1; SMN2LMNAEDNRBEDNRA
SCHEMBL28331420 0.77 SMN1; SMN2 (0.54) TSHRSMN1; SMN2LMNAEDNRBEDNRA
SCHEMBL2883552 0.76 LMNA (0.53) TSHRSMN1; SMN2LMNACNR2MAPT
SCHEMBL21381476 0.75 SMN1; SMN2 (0.53) TSHRSMN1; SMN2LMNAEDNRBEDNRA

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-116462666-A Cytoprotective compounds and uses thereof 瑞士苏黎世联邦理工学院 2023-07-21 CN claimed
CN-116462666-A Cytoprotective compounds and uses thereof 瑞士苏黎世联邦理工学院 2023-07-21 CN disclosed