SCHEMBL31362829

SCHEMBL31362829

Cc1cc(C(=O)O)cc(-c2noc(C)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
PLK1 P53350 1/20 0.48
HCAR1 Q9BXC0 1/20 0.44
RAB9A P51151 3/20 0.43
LMNA P02545 2/20 0.43
IP6K1 Q92551 1/20 0.43
IP6K3 Q96PC2 1/20 0.43
IP6K2 Q9UHH9 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
NR1H4 Q96RI1 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
SCHEMBL25301459 1.00 TPMT (0.50) TPMTL3MBTL1PLK1HCAR1RAB9A
SCHEMBL30497207 0.84 L3MBTL1 (0.50) TPMTL3MBTL1PLK1HCAR1RAB9A
SCHEMBL14752302 0.84 L3MBTL1 (0.46) L3MBTL1PLK1HCAR1RAB9ALMNA
SCHEMBL25301375 0.84 L3MBTL1 (0.50) TPMTL3MBTL1PLK1HCAR1RAB9A
SCHEMBL25301615 0.83 PLK1 (0.48) L3MBTL1PLK1RAB9ALMNATSHR
SCHEMBL30497195 0.83 PLK1 (0.48) L3MBTL1PLK1RAB9ALMNATSHR
SCHEMBL17068997 0.82 L3MBTL1 (0.62) L3MBTL1PLK1RAB9ALMNATSHR
SCHEMBL4781992 0.82 RXRB (0.46) L3MBTL1PLK1RAB9ALMNATSHR
SCHEMBL14752316 0.82 RAB9A (0.47) L3MBTL1PLK1RAB9ALMNATSHR
SCHEMBL14752386 0.82 RXRA (0.45) L3MBTL1PLK1RAB9ALMNATSHR

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-119421877-A Substituted heterocyclic compounds as HSET inhibitors 默克专利股份公司 2025-02-11 CN disclosed