SCHEMBL30643554

SCHEMBL30643554

Cc1ccccc1N1C=CC=NC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 2/20 0.38
ADRB1 P08588 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MGLL Q99685 1/20 0.35
ALOX5 P09917 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
PIK3CD O00329 1/20 0.31
LMNA P02545 2/20 0.31
FLT3 P36888 1/20 0.31
GSK3B P49841 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL28757072 0.87
SCHEMBL28462462 0.79 NPSR1 (0.38) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL27568155 0.79 GAA (0.38) ALDH1A1SMN1; SMN2HPGDMAPTMEN1
SCHEMBL28165012 0.79 MGLL (0.35) TSHRMGLLL3MBTL1
SCHEMBL30642749 0.78 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL27932489 0.77 TRPA1 (0.36) ALDH1A1HPGD
SCHEMBL2478579 0.75 MEN1 (0.38) ALDH1A1SMN1; SMN2HPGDTSHRMEN1
SCHEMBL27860451 0.75 KDM4E (0.39) SMN1; SMN2TSHRMAPTKMT2AKDM4E
SCHEMBL27314289 0.75
SCHEMBL27776025 0.74 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2HPGDMAPTMEN1

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-2023220640-A1 CDK PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2023-11-16 WO disclosed