SCHEMBL21786709

SCHEMBL21786709

CC(C)Cc1ncc(F)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 1/20 0.38
P2RX7 Q99572 1/20 0.34
OPRL1 P41146 3/20 0.31
RORC P51449 1/20 0.31
MAPK1 P28482 1/20 0.31
BACE1 P56817 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL23998926 0.81 CRHR1 (0.37) MAPK1TDP1L3MBTL1ALDH1A1NPSR1
SCHEMBL17000219 0.81 AGBL2 (0.40) AGBL2ALDH1A1KDM4EUSP2HPGD
SCHEMBL26199719 0.79 AGBL2 (0.54) AGBL2KDM4EUSP2HPGDHSD17B10
SCHEMBL17002597 0.79 CPB2 (0.33) MEN1KMT2A
SCHEMBL364169 0.78 HSD17B10 (0.37) TDP1L3MBTL1ALDH1A1NPSR1MEN1
SCHEMBL17000220 0.77 TDP1 (0.54) MAPK1TDP1L3MBTL1ALDH1A1NPSR1
SCHEMBL19583872 0.76 AGBL2 (0.38) AGBL2OPRL1MAPK1BACE1TDP1
SCHEMBL17768622 0.75 AGBL2 (0.37) AGBL2OPRL1MAPK1BACE1TDP1
SCHEMBL23530950 0.75 AGBL2 (0.37) AGBL2OPRL1MAPK1BACE1TDP1
SCHEMBL23874363 0.75 SLC22A12 (0.41) AGBL2OPRL1MAPK1BACE1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023146987-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
WO-2020046813-A1 CD73 INHIBITORS ARCUS BIOSCIENCES, INC. (US) 2020-03-05 WO disclosed