SCHEMBL22350187

SCHEMBL22350187

O=CCCCCc1nc(N2CCOCC2)no1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.36
MAPT P10636 4/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
PIK3CG P48736 1/20 0.34
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL24602586 0.73 CNR2 (0.37) KMT2AMEN1
SCHEMBL24258699 0.70 MAPT (0.39) MAPTSMN1; SMN2TSHR
SCHEMBL24258740 0.69 L3MBTL1 (0.39) LMNAKMT2AMEN1GAA
SCHEMBL29272968 0.69 SLC13A5 (0.46) HTTMAPTLMNASMN1; SMN2KDM4E
SCHEMBL24258885 0.67 CNR1 (0.31) SMN1; SMN2TP53TSHR
SCHEMBL24258911 0.67 GAA (0.40) LMNAKDM4EKMT2AALDH1A1MEN1
SCHEMBL3425284 0.64 GAA (0.50) HTTLMNASMN1; SMN2KDM4EKMT2A
SCHEMBL15958824 0.64 KMT2A (0.47) HTTMAPTLMNASMN1; SMN2KDM4E
SCHEMBL1255409 0.64 SLC13A5 (0.47) HTTMAPTLMNASMN1; SMN2TP53
SCHEMBL7291045 0.62 KEAP1 (0.52) LMNASMN1; SMN2KDM4EALDH1A1MAPK1

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
WO-2020168152-A2 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-20 WO disclosed