SCHEMBL30132074

SCHEMBL30132074

COc1cccc(-n2ncc3c(O)nc(CN(C)CC(=O)N(C)c4ccccc4Cl)nc32)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
TSHR P16473 2/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.39
TP53 P04637 3/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
GSK3B P49841 3/20 0.36
PDE9A O76083 1/20 0.36
GSK3A P49840 2/20 0.36
KDM5B Q9UGL1 1/20 0.35

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
SCHEMBL23723609 1.00 SMN1; SMN2 (0.42) SMN1; SMN2TSHRHTTLMNATP53
SCHEMBL23723520 0.92 TSHR (0.42) SMN1; SMN2TSHRHTTLMNATP53
SCHEMBL30132094 0.92 TSHR (0.42) SMN1; SMN2TSHRHTTLMNATP53
SCHEMBL30132105 0.90 GRM1 (0.42) SMN1; SMN2TSHRHTTLMNATP53
SCHEMBL23723564 0.90 GRM1 (0.42) SMN1; SMN2TSHRHTTLMNATP53
SCHEMBL23723808 0.90 GRM1 (0.38) SMN1; SMN2TSHRLMNATP53ALDH1A1
SCHEMBL30132062 0.90 GRM1 (0.38) SMN1; SMN2TSHRLMNATP53ALDH1A1
SCHEMBL23723692 0.86 MAPT (0.40) SMN1; SMN2LMNATP53ALDH1A1MAPT
SCHEMBL30132087 0.86 MAPT (0.40) SMN1; SMN2LMNATP53ALDH1A1MAPT
SCHEMBL23723650 0.85 PDE9A (0.38) SMN1; SMN2TSHRALDH1A1POLBPDE9A

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
EP-4100015-A1 COMBINATION THERAPY FOR TREATING MPS1 Gain Therapeutics SA (CH) 2022-12-14 EP disclosed