SCHEMBL30157749

SCHEMBL30157749

COc1ccc(N2CC(C(=O)NCc3ccccc3)CC2=O)cc1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.80
MEN1 O00255 1/20 0.80
KMT2A Q03164 1/20 0.80
NPSR1 Q6W5P4 1/20 0.78
ALDH1A1 P00352 3/20 0.71
APOBEC3A P31941 1/20 0.71
APOBEC3G Q9HC16 1/20 0.71
ADORA2A P29274 1/20 0.70
HPGD P15428 1/20 0.68
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
TSHR P16473 2/20 0.64
HTT P42858 1/20 0.62
LMNA P02545 2/20 0.62
NPC1 O15118 1/20 0.62
TP53 P04637 1/20 0.62

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
SCHEMBL30158751 0.94 NPSR1 (0.76) POLBMEN1KMT2ANPSR1ALDH1A1
SCHEMBL30157577 0.90 NPSR1 (0.70) POLBMEN1KMT2ANPSR1ALDH1A1
SCHEMBL30158025 0.89 NPSR1 (0.69) POLBMEN1KMT2ANPSR1ALDH1A1
SCHEMBL30157629 0.89 NPSR1 (0.69) POLBMEN1KMT2ANPSR1ALDH1A1
SCHEMBL30157665 0.88 KMT2A (0.75) POLBMEN1KMT2ANPSR1ALDH1A1
SCHEMBL30157652 0.85 POLB (0.71) POLBMEN1KMT2ANPSR1ALDH1A1
SCHEMBL30157624 0.84 SMN1; SMN2 (0.73) POLBMEN1KMT2ANPSR1ALDH1A1
SCHEMBL19419916 0.83 TSHR (0.70) POLBNPSR1ALDH1A1APOBEC3AAPOBEC3G
SCHEMBL30157283 0.83 NPSR1 (0.72) POLBMEN1KMT2ANPSR1ALDH1A1
SCHEMBL12838810 0.81 TSHR (0.73) POLBMEN1KMT2AALDH1A1APOBEC3A

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