SCHEMBL30158751

SCHEMBL30158751

COc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OC)cc3)C2)cc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.76
ALDH1A1 P00352 5/20 0.75
HPGD P15428 1/20 0.75
APOBEC3A P31941 1/20 0.72
APOBEC3G Q9HC16 1/20 0.72
POLB P06746 2/20 0.71
MEN1 O00255 1/20 0.71
KMT2A Q03164 1/20 0.71
TSHR P16473 2/20 0.70
ALOX15 P16050 1/20 0.65
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
ADORA2A P29274 1/20 0.61
MAPK1 P28482 1/20 0.59
ATM Q13315 1/20 0.59

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
SCHEMBL30157577 0.96 NPSR1 (0.70) NPSR1ALDH1A1HPGDAPOBEC3AAPOBEC3G
SCHEMBL30158025 0.94 NPSR1 (0.69) NPSR1ALDH1A1HPGDAPOBEC3AAPOBEC3G
SCHEMBL30157629 0.94 NPSR1 (0.69) NPSR1ALDH1A1HPGDAPOBEC3AAPOBEC3G
SCHEMBL30157749 0.94 POLB (0.80) NPSR1ALDH1A1HPGDAPOBEC3AAPOBEC3G
SCHEMBL30157283 0.88 NPSR1 (0.72) NPSR1ALDH1A1HPGDAPOBEC3AAPOBEC3G
SCHEMBL19419916 0.86 TSHR (0.70) NPSR1ALDH1A1APOBEC3AAPOBEC3GPOLB
SCHEMBL30158807 0.84 GAA (0.74) ALDH1A1HPGDPOLBMEN1KMT2A
SCHEMBL12838810 0.84 TSHR (0.73) ALDH1A1APOBEC3AAPOBEC3GPOLBMEN1
SCHEMBL30157624 0.83 SMN1; SMN2 (0.73) NPSR1ALDH1A1HPGDAPOBEC3AAPOBEC3G
SCHEMBL30157604 0.81 GAA (0.68) ALDH1A1POLBMEN1KMT2ATSHR

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