SCHEMBL30157604

SCHEMBL30157604

Cc1ccc(N2CC(C(=O)NCc3ccc(Cl)cc3)CC2=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.68
TDP1 Q9NUW8 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.67
ALDH1A1 P00352 6/20 0.65
KDM4E B2RXH2 1/20 0.65
MAPT P10636 1/20 0.65
RECQL P46063 1/20 0.65
MAPK1 P28482 2/20 0.62
TSHR P16473 1/20 0.62
ATM Q13315 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
POLB P06746 2/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
KMT2A Q03164 3/20 0.60
MEN1 O00255 1/20 0.60

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
SCHEMBL30158807 0.94 GAA (0.74) GAATDP1SMN1; SMN2ALDH1A1POLB
SCHEMBL30157472 0.89 ALDH1A1 (0.68) GAASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL30157451 0.88 GAA (0.67) GAATDP1SMN1; SMN2ALDH1A1POLB
SCHEMBL30157652 0.88 POLB (0.71) GAATDP1SMN1; SMN2ALDH1A1POLB
SCHEMBL30158025 0.88 NPSR1 (0.69) GAATDP1ALDH1A1TSHRPOLB
SCHEMBL30157577 0.87 NPSR1 (0.70) GAASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL30157964 0.86 SMN1; SMN2 (0.70) GAATDP1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL30157502 0.85 P2RX7 (0.70) GAATDP1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL30158578 0.85 ALDH1A1 (0.60) GAATDP1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL30157592 0.84 GAA (0.64) GAATDP1SMN1; SMN2ALDH1A1MAPT

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