SCHEMBL30289647

SCHEMBL30289647

COc1ccc(CN(Cc2ccc(OC)cc2)c2nccc3cnc(-c4ccc(Oc5ccc(F)cc5)cc4)n23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.40
CYP3A4 P08684 5/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 3/20 0.40
CYP2D6 P10635 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MET P08581 3/20 0.39
ALDH1A1 P00352 7/20 0.37
HSD17B10 Q99714 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 4/20 0.36
USP2 O75604 4/20 0.36
CYP2C9 P11712 2/20 0.36

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
SCHEMBL30289608 0.91 MEN1 (0.43) CYP1A2CYP3A4KMT2AKDM4EMEN1
SCHEMBL30289633 0.91 CETP (0.37) CYP1A2CYP3A4KMT2AKDM4EMEN1
SCHEMBL30289586 0.89 LPAR1 (0.44) CYP1A2CYP3A4KMT2AKDM4EMEN1
SCHEMBL30289703 0.86 MEN1 (0.39) CYP1A2CYP3A4KMT2AKDM4EMEN1
SCHEMBL30289595 0.83 LPAR1 (0.38) CYP1A2CYP3A4KMT2AKDM4EMEN1
SCHEMBL30367508 0.82 LMNA (0.42) KMT2AMEN1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL30289624 0.81 CETP (0.37) CYP1A2CYP3A4KMT2AKDM4EMEN1
SCHEMBL30289642 0.73 ABL1 (0.61) CYP1A2CYP3A4KMT2AKDM4EMEN1
SCHEMBL30289701 0.69 LMNA (0.44) CYP1A2CYP3A4KMT2AMEN1CYP2D6
SCHEMBL19878173 0.66 GAA (0.44) KMT2AKDM4EMEN1ALDH1A1HSD17B10

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
CN-115894497-A Imidazopyrimidine compounds, and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-04-04 CN disclosed