SCHEMBL28824045

SCHEMBL28824045

O=C(O)c1cnnn1-c1ccc(-c2ccccc2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 3/20 0.46
MARS1 P56192 6/20 0.44
ADH5 P11766 2/20 0.43
TSHR P16473 1/20 0.41
HSD11B1 P28845 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HSP90AA1 P07900 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL28824043 0.86 KMT2A (0.49) MARS1HSD11B1NPC1RAB9AHSP90AA1
SCHEMBL28823986 0.85 FOLH1 (0.44) TSHRNPC1RAB9AHSP90AA1NFKB1
SCHEMBL28824033 0.84 PTGS1 (0.42) ADH5TSHRNPC1RAB9AHSP90AA1
SCHEMBL28824007 0.84 NPC1 (0.39) RPA1TSHRHSD11B1NPC1RAB9A
SCHEMBL28824039 0.84 CA1 (0.44) RPA1ADH5TSHRHSD11B1NPC1
SCHEMBL28824024 0.83 SMN1; SMN2 (0.45) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL28824025 0.82 NPC1 (0.39) TSHRHSD11B1NPC1RAB9AHSP90AA1
SCHEMBL28824080 0.82 NPC1 (0.40) TSHRHSD11B1NPC1RAB9AHSP90AA1
SCHEMBL28824104 0.82 MAPK10 (0.47) TSHRNPC1RAB9AHSP90AA1NFKB1
SCHEMBL28824098 0.82 BCAT2 (0.45) TSHRNPC1RAB9AHSP90AA1NFKB1

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-114929676-A Heterocyclic carboxylate compounds as glycolate oxidase inhibitors 紫丁香疗法有限公司 2022-08-19 CN disclosed