SCHEMBL31444802

SCHEMBL31444802

CN1CCN(c2cccc(N)c2)C1=S

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.54
MAPT P10636 5/20 0.44
ALDH1A1 P00352 5/20 0.44
CASP1 P29466 2/20 0.44
MEN1 O00255 2/20 0.44
ALOX15 P16050 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CASP7 P55210 1/20 0.44
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
CYP3A4 P08684 1/20 0.37
RECQL P46063 1/20 0.37
LMNA P02545 1/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRM2 Q14416 1/20 0.35
HPGD P15428 2/20 0.34
PTPN7 P35236 2/20 0.34
DUSP3 P51452 2/20 0.34

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
SCHEMBL3373394 0.79 ADRA2C (0.54) ADRA2CMAPTALDH1A1CASP1MEN1
SCHEMBL31444761 0.75 MAPT (0.48) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL6942579 0.71 ADRA2C (0.80) ADRA2CMAPTALDH1A1CASP1MEN1
SCHEMBL448110 0.71 ADRA2C (1.00) ADRA2CMAPTALDH1A1CASP1MEN1
SCHEMBL14619259 0.70 ADRA2C (0.60) ADRA2CMAPTALDH1A1CASP1MEN1
SCHEMBL1203051 0.70 ADRA2C (0.60) ADRA2CMAPTALDH1A1CASP1MEN1
Hydrochloric Acid SCHEMBL16209754 0.69 ADRA2C (0.96) ADRA2CMAPTALDH1A1CASP1MEN1
Hydrochloric Acid SCHEMBL7077636 0.69 ADRA2C (0.77) ADRA2CMAPTALDH1A1CASP1MEN1
SCHEMBL20313978 0.68 MEN1 (0.70) ADRA2CMAPTALDH1A1CASP1MEN1
SCHEMBL28122103 0.68 ADRA2C (0.79) ADRA2CMAPTALDH1A1CASP1MEN1

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-2025096710-A1 MODULATORS OF BCL6 AS LIGAND DIRECTED DEGRADERS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-05-08 WO disclosed