SCHEMBL23401992

SCHEMBL23401992

Cc1ccccc1-n1ncc(O)c1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.44
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK14 Q16539 1/20 0.43
HSP90AA1 P07900 2/20 0.42
HSP90AB1 P08238 1/20 0.42
LMNA P02545 3/20 0.40
ALDH1A1 P00352 6/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MITF O75030 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.37

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
SCHEMBL12457435 0.85 KMT2A (0.44) HIF1AMEN1PKMKMT2ASMN1; SMN2
SCHEMBL23398742 0.80 HIF1A (0.48) HIF1AMEN1PKMKMT2ASMN1; SMN2
SCHEMBL23399455 0.78 MAPK1 (0.42) HIF1ASMN1; SMN2HSP90AA1HSP90AB1LMNA
SCHEMBL23400666 0.77 MEN1 (0.50) HIF1AMEN1PKMKMT2ASMN1; SMN2
SCHEMBL23399471 0.77 MEN1 (0.44) HIF1AMEN1PKMKMT2ASMN1; SMN2
SCHEMBL23398978 0.74 ALDH1A1 (0.39) HIF1AMEN1PKMKMT2ASMN1; SMN2
SCHEMBL23400614 0.74 KMT2A (0.43) MEN1PKMKMT2ASMN1; SMN2HSP90AA1
SCHEMBL23400201 0.74 HIF1A (0.44) HIF1AMEN1PKMKMT2ASMN1; SMN2
SCHEMBL23401881 0.74 HIF1A (0.44) HIF1AMEN1PKMKMT2ASMN1; SMN2
SCHEMBL23400221 0.74 MAPK14 (0.48) HIF1AMEN1PKMKMT2ASMN1; SMN2

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed