SCHEMBL25815331

SCHEMBL25815331

Cc1ccc(N2CCN(CC(C)C)CC2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
IGF1R P08069 2/20 0.46
HTR1A P08908 3/20 0.43
DRD2 P14416 2/20 0.43
ADRA1B P35368 2/20 0.43
DRD4 P21917 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR1B P28222 1/20 0.43
ADRA1A P35348 1/20 0.43
DRD3 P35462 1/20 0.43
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
HTR7 P34969 1/20 0.39

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
SCHEMBL13419252 0.88 MAPT (0.52) MAPTTP53SMN1; SMN2IGF1RHTR1A
SCHEMBL27398024 0.88 MAPT (0.47) MAPTTP53SMN1; SMN2KDM4EIGF1R
SCHEMBL27358355 0.85 KDM4E (0.46) MAPTTP53SMN1; SMN2KDM4EIGF1R
SCHEMBL1127846 0.84 MAPT (0.56) MAPTTP53SMN1; SMN2KDM4EIGF1R
SCHEMBL13419227 0.83 MAPT (0.53) MAPTTP53SMN1; SMN2ALDH1A1LMNA
SCHEMBL25815151 0.82 KDM4E (0.44) MAPTTP53SMN1; SMN2KDM4EIGF1R
SCHEMBL21164677 0.81 TSHR (0.58) MAPTTP53IGF1RHTR1ADRD2
SCHEMBL24663858 0.80 ADRA1D (0.49) MAPTSMN1; SMN2KDM4EADRA1BADRA1D
SCHEMBL13419225 0.80 KCNH2 (0.44) MAPTTP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL20363922 0.79 SLC6A2 (0.46) MAPTTP53HTR1ADRD2ADRA1B

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-2023129506-A1 POTENT AND SELECTIVE SMARCA2 DEGRADING CHIMERIC MOLECULES AS CANCER THERAPEUTICS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-07-06 WO disclosed