SCHEMBL30157734

SCHEMBL30157734

O=C(NCc1ccccc1Cl)C1CC(=O)N(c2ccc(Cl)cc2)C1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
P2RX7 Q99572 5/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
MGLL Q99685 1/20 0.58
ALDH1A1 P00352 3/20 0.57
ALOX12 P18054 1/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
POLB P06746 3/20 0.56
LMNA P02545 1/20 0.56
GLA P06280 1/20 0.55

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
SCHEMBL30157465 0.91 P2RX7 (0.60) TDP1P2RX7NPC1RAB9AMGLL
SCHEMBL30157467 0.90 GAA (0.65) GAATDP1P2RX7NPC1RAB9A
SCHEMBL30157302 0.90 P2RX7 (0.72) GAATDP1P2RX7ALDH1A1ALOX12
SCHEMBL30158012 0.88 MEN1 (0.68) GAATDP1P2RX7NPC1RAB9A
SCHEMBL30157830 0.88 P2RX7 (0.72) GAATDP1P2RX7ALDH1A1MEN1
SCHEMBL30157652 0.87 POLB (0.71) GAATDP1P2RX7NPC1RAB9A
SCHEMBL30158807 0.85 GAA (0.74) GAATDP1NPC1RAB9AALDH1A1
SCHEMBL30157451 0.85 GAA (0.67) GAATDP1NPC1RAB9AALDH1A1
SCHEMBL30158687 0.84 P2RX7 (0.67) GAATDP1P2RX7ALDH1A1MEN1
SCHEMBL30157512 0.84 ALDH1A1 (0.62) GAATDP1P2RX7ALDH1A1MEN1

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