SCHEMBL24329947

SCHEMBL24329947

Cn1c(C(C)(C)O)nc2ccc(Br)cc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 12/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
USP2 O75604 1/20 0.43
NPM1 P06748 2/20 0.37
ALK Q9UM73 2/20 0.37
MAPK1 P28482 2/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
MCL1 Q07820 1/20 0.36
ACACB O00763 1/20 0.36
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL15112112 0.87 MAPT (0.45) ACSS2SMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL27037824 0.84 MAPT (0.43) ACSS2SMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL31473806 0.84 MAPT (0.43) ACSS2SMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL15111050 0.82 MAPT (0.44) ACSS2SMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL15110814 0.82 MEN1 (0.44) ACSS2SMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL24815611 0.82 ACSS2 (0.55) ACSS2SMN1; SMN2ALDH1A1MAPTRAB9A
SCHEMBL24815604 0.78 ACSS2 (0.45) ACSS2SMN1; SMN2
SCHEMBL18662802 0.78 ACSS2 (0.65) ACSS2
SCHEMBL24007903 0.75 MAPT (0.49) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL960479 0.74 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A

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
CN-116782903-A Substituted pyridone compounds and uses thereof 南京再明医药有限公司 2023-09-19 CN disclosed
WO-2022078403-A1 SUBSTITUTED PYRIDONE COMPOUND AND APPLICATION 江苏先声药业有限公司 2022-04-21 WO disclosed
WO-2022078403-A1 SUBSTITUTED PYRIDONE COMPOUND AND APPLICATION 江苏先声药业有限公司 2022-04-21 WO disclosed