SCHEMBL21962019

SCHEMBL21962019

O=C1CCc2cc(Cl)c(Br)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AHR P35869 3/20 0.40
HSD17B1 P14061 2/20 0.37
PTGS2 P35354 4/20 0.35
PTGS1 P23219 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PRKCI P41743 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GRM5 P41594 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
TYMS P04818 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP11B1 P15538 1/20 0.33

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
SCHEMBL31511760 1.00 PBRM1 (0.41) PBRM1CASP1CASP7HSD17B10AHR
SCHEMBL29914436 0.92 PBRM1 (0.41) PBRM1CASP1CASP7HSD17B10AHR
SCHEMBL19887446 0.92 PBRM1 (0.41) PBRM1CASP1CASP7HSD17B10AHR
SCHEMBL23051659 0.83 PBRM1 (0.47) PBRM1CASP1CASP7HSD17B10HSD17B1
SCHEMBL1512735 0.83 PBRM1 (0.47) PBRM1CASP1CASP7HSD17B10AHR
SCHEMBL31591225 0.83 PBRM1 (0.47) PBRM1CASP1CASP7HSD17B10AHR
SCHEMBL31591224 0.83 PBRM1 (0.47) PBRM1CASP1CASP7HSD17B10HSD17B1
SCHEMBL15689674 0.81 MAOA (0.49) HSD17B1MEN1KMT2AMAOAMAOB
SCHEMBL2907226 0.76 PBRM1 (0.41) PBRM1CASP1CASP7HSD17B10HSD17B1
SCHEMBL6206980 0.76 CASP1 (0.50) PBRM1CASP1CASP7HSD17B10HSD17B1

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
EP-3880685-A2 INHIBITORS OF ARG1 AND/OR ARG2 Arcus Biosciences, Inc. (US) 2021-09-22 EP disclosed
WO-2020102646-A2 INHIBITORS OF ARG1 AND/OR ARG2 ARCUS BIOSCIENCES, INC. (US) 2020-05-22 WO disclosed
WO-2020102646-A2 INHIBITORS OF ARG1 AND/OR ARG2 ARCUS BIOSCIENCES, INC. (US) 2020-05-22 WO disclosed