SCHEMBL29008673

SCHEMBL29008673

CCOC(=O)c1cc(-c2cc(F)cc(F)c2)n[nH]1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALPL P05186 9/20 0.65
MAPT P10636 6/20 0.64
RAB9A P51151 4/20 0.64
NPC1 O15118 3/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
KMT2A Q03164 1/20 0.56
HPGDS O60760 2/20 0.55
ACR P10323 1/20 0.52
TP53 P04637 1/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
POLB P06746 1/20 0.49
GAA P10253 1/20 0.47
CA12 O43570 2/20 0.46
CA9 Q16790 1/20 0.46
RPA1 P27694 1/20 0.46

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
SCHEMBL2824803 0.87 ALPL (0.76) ALPLMAPTRAB9ANPC1L3MBTL1
SCHEMBL16700939 0.87 MAPT (0.67) ALPLMAPTRAB9ANPC1L3MBTL1
SCHEMBL17895628 0.82 ALPL (0.72) ALPLMAPTRAB9ANPC1L3MBTL1
SCHEMBL595997 0.81 ALPL (0.75) ALPLMAPTRAB9ANPC1L3MBTL1
SCHEMBL2839767 0.81 MAPT (0.60) ALPLMAPTRAB9ANPC1L3MBTL1
SCHEMBL2842102 0.81 HPGDS (0.62) ALPLMAPTRAB9ANPC1L3MBTL1
SCHEMBL4712555 0.80 ALPL (0.73) ALPLMAPTRAB9ANPC1L3MBTL1
SCHEMBL25196239 0.80 MAPT (0.67) ALPLMAPTRAB9ANPC1L3MBTL1
SCHEMBL16700850 0.79 ALPL (0.75) ALPLMAPTRAB9ANPC1L3MBTL1
SCHEMBL1413959 0.79 ALPL (1.00) ALPLMAPTRAB9ANPC1L3MBTL1

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-115836062-A Compound and medical application thereof 心悦生医股份有限公司 2023-03-21 CN disclosed