SCHEMBL22789953

SCHEMBL22789953

COC(=O)c1cn(C)c2cc(N3CCNCC3C)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 8/20 0.46
BRPF1 P55201 3/20 0.44
BRD1 O95696 2/20 0.44
BRD4 O60885 2/20 0.44
BRPF3 Q9ULD4 1/20 0.44
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RAD52 P43351 1/20 0.40
KDM4E B2RXH2 3/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PRPS1 P60891 2/20 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
SCHEMBL22790088 1.00 NR4A2 (0.46) NR4A2BRPF1BRD1BRD4BRPF3
SCHEMBL22789951 1.00 NR4A2 (0.46) NR4A2BRPF1BRD1BRD4BRPF3
SCHEMBL22790093 0.82 NR4A2 (0.52) NR4A2BRD4MEN1KMT2AALDH1A1
SCHEMBL18245084 0.79 ALDH1A1 (0.46) BRPF1BRD1BRD4BRPF3MEN1
SCHEMBL18245086 0.79 ALDH1A1 (0.46) BRPF1BRD1BRD4BRPF3MEN1
SCHEMBL22790352 0.78 NR4A2 (0.48) NR4A2BRD4MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL29646078 0.78 RAD52 (0.45) BRPF1BRD1BRD4BRPF3MEN1
SCHEMBL22790174 0.77 NR4A2 (0.47) NR4A2BRPF1BRD4MEN1KMT2A
SCHEMBL22789981 0.77 NR4A2 (0.49) NR4A2BRD4MEN1KMT2AALDH1A1
SCHEMBL22790260 0.77 NR4A2 (0.46) NR4A2BRPF1BRD4MEN1KMT2A

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-2020249064-A1 COMPOUNDS FOR MODULATING FXR NANJING RUIJIE PHARMA CO., LTD. (CN) 2020-12-17 WO disclosed