SCHEMBL26556917

SCHEMBL26556917

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 3/20 0.44
▸ TLR7 Q9NYK1 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ CCNE2 O96020 1/20 0.41
▸ CCNE1 P24864 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ NPY5R Q15761 1/20 0.39
▸ PRKDC P78527 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL26557033 0.87 GBA1 (0.43) GBA1TLR7MAPTCCNE2CCNE1
SCHEMBL26559177 0.85 GBA1 (0.46) GBA1TLR7MAPTCCNE2CCNE1
SCHEMBL26552819 0.84 GBA1 (0.59) GBA1MAPTKMT2ATSHRALDH1A1
SCHEMBL21456834 0.84 NPY5R (0.44) GBA1TLR7MAPTCCNE2CCNE1
SCHEMBL26551931 0.81 KDM4E (0.59) GBA1MAPTKMT2ATSHRALDH1A1
SCHEMBL26550810 0.81 TSHR (0.60) GBA1MAPTKMT2ATSHRALDH1A1
SCHEMBL4085042 0.77 KMT2A (0.61) TLR7MAPTKMT2ATSHRALDH1A1
SCHEMBL4095705 0.75 KMT2A (0.64) TLR7MAPTKMT2ATSHRALDH1A1
SCHEMBL26563939 0.71 PRKDC (0.48) TP53HTTPRKDC
SCHEMBL21456820 0.71 NPY5R (0.48) GBA1TLR7MAPTCCNE2CCNE1

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
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