SCHEMBL26557033

SCHEMBL26557033

CSNCC1CCCN(c2nc(NC(C)C)nc3ccccc23)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 2/20 0.43
▸ TLR7 Q9NYK1 1/20 0.43
▸ MAPT P10636 5/20 0.41
▸ CCNE2 O96020 1/20 0.41
▸ CCNE1 P24864 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ LMNA P02545 6/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ HPGD P15428 5/20 0.40
▸ HTT P42858 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ RECQL P46063 2/20 0.40
▸ APP P05067 2/20 0.40
▸ BCHE P06276 2/20 0.40
▸ ACHE P22303 2/20 0.40
▸ ALOX12 P18054 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL26556917 0.87 GBA1 (0.44) GBA1TLR7MAPTCCNE2CCNE1
SCHEMBL26559177 0.84 GBA1 (0.46) GBA1TLR7MAPTCCNE2CCNE1
SCHEMBL21456820 0.84 NPY5R (0.48) GBA1TLR7MAPTCCNE2CCNE1
SCHEMBL26552819 0.83 GBA1 (0.59) GBA1MAPTLMNAKMT2AHTT
SCHEMBL25557265 0.83 ENPP1 (0.45) GBA1TLR7MAPTCCNE2CCNE1
SCHEMBL26550810 0.80 TSHR (0.60) GBA1MAPTLMNAKMT2AHPGD
SCHEMBL26551931 0.80 KDM4E (0.59) GBA1MAPTLMNAKMT2AHPGD
SCHEMBL25244953 0.72 KDM4E (0.62) TLR7MAPTLMNAKMT2AHPGD
SCHEMBL21456834 0.71 NPY5R (0.44) GBA1TLR7MAPTCCNE2CCNE1
SCHEMBL26563939 0.70 PRKDC (0.48) HTTCYP1A2CYP2D6TP53

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-3551188-B1 SUBSTITUTED QUINAZOLINE SULFONAMIDES AS THIOREDOXIN INTERACTING PROTEIN (TXNIP) INHIBITORS SOUTHERN RES INST (US) 2023-10-18 — — EP disclosed
Send feedback