SCHEMBL30949261

SCHEMBL30949261

COc1ccccc1-n1nc(C(=O)O)ccc1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 1/20 0.50
TP53 P04637 1/20 0.47
MAPK14 Q16539 2/20 0.46
MAPK11 Q15759 1/20 0.46
ADORA3 P0DMS8 2/20 0.45
ADORA1 P30542 2/20 0.45
ADORA2A P29274 1/20 0.44
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
MGLL Q99685 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 4/20 0.43
HSD11B1 P28845 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALOX15 P16050 1/20 0.41
RPA1 P27694 1/20 0.41
UGCG Q16739 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL25078248 1.00 MARS1 (0.50) MARS1TP53MAPK14MAPK11ADORA3
SCHEMBL30949266 0.87 MAPK14 (0.45) MARS1TP53MAPK14MAPK11ADORA3
SCHEMBL30202478 0.87 MAPK14 (0.48) MARS1TP53MAPK14MAPK11PTGS1
SCHEMBL25077935 0.87 MAPK14 (0.48) MARS1TP53MAPK14MAPK11PTGS1
SCHEMBL6173365 0.80 MARS1 (0.56) MARS1TP53MAPK14ADORA3ADORA1
SCHEMBL25078603 0.79 ADORA3 (0.43) MAPK14MAPK11ADORA3ADORA1ADORA2A
SCHEMBL25431512 0.79 RORC (0.40) MARS1PTGS1PTGS2KMT2AKDM4E
SCHEMBL25077983 0.78 MAPK14 (0.43) MAPK14MAPK11MGLLNPSR1ALDH1A1
SCHEMBL30202561 0.78 MAPK14 (0.43) MAPK14MAPK11MGLLNPSR1ALDH1A1
SCHEMBL6173680 0.77 MARS1 (0.53) MARS1MAPK14ALDH1A1HSD11B1KDM4E

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
CN-118119600-A SOS1 inhibitors and uses thereof 治纳辅医药科技有限公司 2024-05-31 CN disclosed