SCHEMBL22790286

SCHEMBL22790286

CC1CNCC(C)N1c1ccc2c(C(=O)O)cn(C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 13/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.37
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL27640907 0.79 KDM4E (0.37) MEN1KMT2ALMNAPOLB
SCHEMBL22789981 0.74 NR4A2 (0.49) NR1H4MEN1KMT2ALMNA
SCHEMBL22790158 0.74 KHK (0.46) NR1H4MEN1KMT2AGPBAR1LMNA
SCHEMBL10254311 0.72 KMT2A (0.49) MEN1KMT2ALMNAPOLB
SCHEMBL22790182 0.71 LMNA (0.38) NR1H4MEN1KMT2AGPBAR1LMNA
SCHEMBL22789953 0.71 NR4A2 (0.46) MEN1KMT2ALMNA
SCHEMBL22790088 0.71 NR4A2 (0.46) MEN1KMT2ALMNA
SCHEMBL22789951 0.71 NR4A2 (0.46) MEN1KMT2ALMNA
SCHEMBL15167291 0.70 ACMSD (0.44) NR1H4MEN1KMT2AGPBAR1LMNA
SCHEMBL2433825 0.70 KMT2A (0.48) MEN1KMT2ALMNAPOLB

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