SCHEMBL21806239

SCHEMBL21806239

CCCCCCCCc1ccnc(N)c1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 3/20 0.46
NOS3 P29474 2/20 0.46
TYR P14679 1/20 0.44
TLR7 Q9NYK1 2/20 0.43
TLR8 Q9NR97 9/20 0.43
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LIPG Q9Y5X9 1/20 0.39
SRC P12931 1/20 0.38

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
SCHEMBL15528179 0.93 NOS2 (0.49) NOS2NOS3TYRTLR7TLR8
SCHEMBL6999496 0.82 TYR (0.46) TYRKDM4EMEN1USP2ALDH1A1
SCHEMBL21776131 0.81 TLR7 (0.42) NOS2TLR7TLR8KDM4EMEN1
Hydrochloric Acid SCHEMBL28538588 0.79 TYR (0.44) TYRTLR8KDM4EMEN1USP2
SCHEMBL10456083 0.79 TYR (0.44) TYRKDM4EMEN1USP2ALDH1A1
SCHEMBL24228676 0.79 TYR (0.44) TYRKDM4EMEN1ALDH1A1MAPT
SCHEMBL28052894 0.79 TYR (0.44) TYRKDM4EMEN1USP2ALDH1A1
Bromide SCHEMBL27953978 0.79 TYR (0.44) TYRTLR8KDM4EMEN1USP2
SCHEMBL28135505 0.79 TYR (0.42) NOS2TYRTLR8KDM4EMEN1
SCHEMBL11401202 0.77 TLR8 (0.47) NOS2NOS3TLR7TLR8KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3852736-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF Metacrine, Inc. (US) 2021-07-28 EP disclosed
WO-2020061118-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2020-03-26 WO disclosed
WO-2020061117-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2020-03-26 WO disclosed
WO-2020061116-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2020-03-26 WO disclosed