SCHEMBL31267378

SCHEMBL31267378

C[C@H]1COC[C@H]1N1C(=O)c2ccccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.42
G6PD P11413 1/20 0.42
CCR6 P51684 1/20 0.42
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
CHRM2 P08172 1/20 0.39
OPRM1 P35372 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
IKZF3 Q9UKT9 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL16674637 1.00 NSD2 (0.42) NSD2G6PDCCR6ALDH1A1CYP1A2
SCHEMBL31267427 1.00 NSD2 (0.42) NSD2G6PDCCR6ALDH1A1CYP1A2
SCHEMBL31267484 1.00 NSD2 (0.42) NSD2G6PDCCR6ALDH1A1CYP1A2
SCHEMBL19530092 0.81 ALDH1A1 (0.43) ALDH1A1CYP1A2CHRM2OPRM1DDB1
SCHEMBL18616128 0.81 ALDH1A1 (0.43) ALDH1A1CYP1A2CHRM2OPRM1DDB1
SCHEMBL19530089 0.81 ALDH1A1 (0.43) ALDH1A1CYP1A2CHRM2OPRM1DDB1
SCHEMBL18542564 0.78 SMO (0.41) ALDH1A1CYP1A2CHRM2OPRM1DDB1
SCHEMBL20474931 0.78 SMO (0.41) ALDH1A1CYP1A2CHRM2OPRM1DDB1
SCHEMBL18542562 0.78 SMO (0.41) ALDH1A1CYP1A2CHRM2OPRM1DDB1
SCHEMBL22234536 0.76 ALDH1A1 (0.35) NSD2G6PDCCR6ALDH1A1CYP1A2

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-2024235254-A1 BIARYL COMPOUNDS PREPARATION METHODS AND MEDICINAL USES THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-11-21 WO disclosed