SCHEMBL30157451

SCHEMBL30157451

O=C(NCc1ccc(Cl)cc1)C1CC(=O)N(c2ccccc2)C1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
POLB P06746 3/20 0.65
ALDH1A1 P00352 2/20 0.60
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
METAP2 P50579 1/20 0.57
LMNA P02545 1/20 0.57
HTT P42858 1/20 0.57
ENPP2 Q13822 1/20 0.55
ALOX12 P18054 1/20 0.55
USP2 O75604 1/20 0.54

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
SCHEMBL30157652 0.95 POLB (0.71) GAATDP1MEN1KMT2APOLB
SCHEMBL30158807 0.94 GAA (0.74) GAATDP1MEN1KMT2APOLB
SCHEMBL30157665 0.91 KMT2A (0.75) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL30157604 0.88 GAA (0.68) GAATDP1MEN1KMT2APOLB
SCHEMBL30158025 0.85 NPSR1 (0.69) GAATDP1MEN1KMT2APOLB
SCHEMBL30157944 0.85 MEN1 (0.59) GAATDP1MEN1KMT2APOLB
SCHEMBL30157734 0.85 GAA (0.63) GAATDP1MEN1KMT2APOLB
SCHEMBL30157830 0.84 P2RX7 (0.72) GAATDP1MEN1KMT2APOLB
SCHEMBL30158012 0.84 MEN1 (0.68) GAATDP1MEN1KMT2APOLB
SCHEMBL30157592 0.83 GAA (0.64) GAATDP1MEN1KMT2APOLB

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-2022268520-A1 USE OF SUBSTITUTED PYRROLIDINONES OR THEIR SALTS FOR INCREASING STRESS TOLERANCE OF PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-12-29 WO disclosed