SCHEMBL31479762

SCHEMBL31479762

Cc1ncc2c(-c3ccc(F)cc3C(=O)N(C(C)C)C(C)C)cc(C3CN(C(=O)OC(C)(C)C)C3)cn12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.40
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
BACE1 P56817 2/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
SLC34A1 Q06495 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
TP53 P04637 2/20 0.33
USP30 Q70CQ3 1/20 0.33

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
SCHEMBL31479132 0.94 GPBAR1 (0.41) GPBAR1ALOX5APFEN1NR1H2NR1H3
SCHEMBL31479892 0.92 GPBAR1 (0.38) GPBAR1ALOX5APFEN1NR1H2NR1H3
SCHEMBL31478913 0.91 GPBAR1 (0.39) GPBAR1ALOX5APFEN1NR1H2NR1H3
SCHEMBL31479687 0.89 SMN1; SMN2 (0.42) GPBAR1ALOX5APFEN1POLBSMN1; SMN2
SCHEMBL31479158 0.89 GPBAR1 (0.38) GPBAR1ALOX5APFEN1NR1H2NR1H3
SCHEMBL31479829 0.86 POLB (0.40) GPBAR1ALOX5APFEN1POLBSMN1; SMN2
SCHEMBL31479100 0.86 GPR119 (0.39) ALOX5APFEN1POLBSMN1; SMN2GPR119
SCHEMBL31479587 0.85 GPR119 (0.39) GPBAR1ALOX5APFEN1POLBSMN1; SMN2
SCHEMBL31479192 0.85 GPR119 (0.39) GPBAR1ALOX5APFEN1POLBSMN1; SMN2
SCHEMBL31479146 0.83 MEN1 (0.32)

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
WO-2025067111-A1 MENIN-MLL INTERACTION INHIBITOR AND PREPARATION METHOD THEREFOR, AND APPLICATION 苏州必扬医药科技有限公司 2025-04-03 WO disclosed