SCHEMBL21887849

SCHEMBL21887849

CC(C)c1ccn(-c2ccnc(N)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELOVL1 Q9BW60 1/20 0.38
NOS3 P29474 5/20 0.38
NOS2 P35228 5/20 0.38
NOS1 P29475 4/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CDC7 O00311 1/20 0.35
CDK2 P24941 1/20 0.35
CBLB Q13191 1/20 0.33
CASR P41180 4/20 0.32
DYRK1A Q13627 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31

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
SCHEMBL17356151 0.83 ELOVL1 (0.39) ELOVL1KDM4ECASR
SCHEMBL23368131 0.81 ELOVL1 (0.40) ELOVL1CASR
SCHEMBL21805818 0.81 CASR (0.34) CASR
SCHEMBL20241939 0.80 ELOVL1 (0.43) ELOVL1NOS3NOS2NOS1KDM4E
SCHEMBL17356153 0.78 AR (0.43) CASR
SCHEMBL23176116 0.76 CASR (0.40) ELOVL1CASR
SCHEMBL21819133 0.75 ELOVL1 (0.38) ELOVL1NOS3NOS2NOS1KDM4E
SCHEMBL30627857 0.75 ELOVL1 (0.38) ELOVL1NOS3NOS2NOS1KDM4E
SCHEMBL21887848 0.75 NOS3 (0.38) ELOVL1NOS3NOS2NOS1KDM4E
SCHEMBL29404447 0.75 NOS3 (0.38) ELOVL1NOS3NOS2NOS1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113056264-A Farnesoin X receptor agonists and uses thereof 梅塔科林公司 2021-06-29 CN disclosed
CN-113056265-A Farnesoin X receptor agonists and uses thereof 梅塔科林公司 2021-06-29 CN disclosed
WO-2020061112-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2020-03-26 WO disclosed