SCHEMBL30380201

SCHEMBL30380201

C=CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 5/20 0.45
TGM2 P21980 1/20 0.38
P4HB P07237 1/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA9 Q16790 4/20 0.37
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
BTK Q06187 2/20 0.36
DGAT1 O75907 1/20 0.36
JAK3 P52333 2/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
LIPG Q9Y5X9 2/20 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
SCHEMBL16099915 1.00 HIF1A (0.45) HIF1ATGM2P4HBCA1CA2
SCHEMBL16123326 0.86 PDGFRB (0.42) HIF1ATGM2P4HBCA1CA2
SCHEMBL16095549 0.86 HIF1A (0.42) HIF1AP4HBCA1CA2CA9
SCHEMBL16101030 0.84 HIF1A (0.43) HIF1ATGM2BTKDGAT1JAK3
SCHEMBL30380339 0.84 HIF1A (0.43) HIF1ATGM2BTKDGAT1JAK3
SCHEMBL30226989 0.83 CA1 (0.47) HIF1ATGM2P4HBCA1CA2
SCHEMBL16101168 0.83 HIF1A (0.40) HIF1ATGM2BTKDGAT1JAK3
SCHEMBL16100693 0.82 HIF1A (0.39) HIF1AP4HBCA1CA2CA9
SCHEMBL21198519 0.81 GAA (0.41) HIF1ATGM2DGAT1EGFRMAPK3
SCHEMBL16101102 0.80 HIF1A (0.40) HIF1ATGM2BTKDGAT1EGFR

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
EP-4167982-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV Pharmaceuticals, Inc. (US) 2023-04-26 EP disclosed