SCHEMBL25911550

SCHEMBL25911550

C[C@@H]1CN(C)CC[C@@H]1c1nc2ccccc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
GRM2 Q14416 1/20 0.45
UBE2M P61081 6/20 0.43
DCUN1D1 Q96GG9 6/20 0.43
GAA P10253 2/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PDE10A Q9Y233 1/20 0.41
LMNA P02545 4/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL25910826 1.00 MEN1 (0.46) MEN1KMT2ATP53ALDH1A1DRD2
SCHEMBL25320578 0.82 DYRK1A (0.37) TP53ALDH1A1UBE2MDCUN1D1CYP3A4
SCHEMBL29081218 0.82 KMT2A (0.56) MEN1KMT2ATP53ALDH1A1DRD2
SCHEMBL13202810 0.79 KMT2A (0.63) MEN1KMT2ATP53ALDH1A1DRD2
SCHEMBL2566803 0.78 UBE2M (0.46) MEN1KMT2ATP53ALDH1A1UBE2M
SCHEMBL19781780 0.78 MEN1 (0.53) MEN1KMT2ATP53ALDH1A1DRD2
SCHEMBL25322014 0.75 CYP2D6 (0.33) CYP3A4
SCHEMBL25322002 0.75 CYP2D6 (0.33) CYP3A4
SCHEMBL30551275 0.75 CYP2D6 (0.33) CYP3A4
SCHEMBL30551626 0.75 SNCA (0.34)

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-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed