SCHEMBL29205283

SCHEMBL29205283

NNc1ncnc2cc(Cl)ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 1/20 0.54
EGFR P00533 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HTT P42858 3/20 0.52
LMNA P02545 2/20 0.52
RXFP1 Q9HBX9 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PPARG P37231 1/20 0.52
NR2E3 Q9Y5X4 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
NPC1 O15118 1/20 0.52
STAT1 P42224 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
PDE5A O76074 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL11685844 0.86 CYP1A2 (0.65) KDM4EALDH1A1EGFRSMN1; SMN2HTT
SCHEMBL11846406 0.81 KDM4E (0.63) KDM4EALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL11090480 0.79 KDM4E (0.66) KDM4EALDH1A1EGFRLMNAMEN1
SCHEMBL29205296 0.79 EGFR (0.52) EGFRHTTMEN1KMT2A
Hydrochloric Acid SCHEMBL11087390 0.78 KDM4E (0.64) KDM4EALDH1A1EGFRLMNAMEN1
SCHEMBL11084344 0.77 EGFR (0.70) KDM4EALDH1A1HPGDEGFRHTT
SCHEMBL4351924 0.77 RAF1 (0.56) KDM4EALDH1A1EGFRHTTLMNA
SCHEMBL11849897 0.77 HDAC1 (0.60) KDM4EALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL11855329 0.77 HDAC1 (0.60) KDM4EALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL11857739 0.77 HDAC1 (0.60) KDM4EALDH1A1HPGDSMN1; SMN2HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4398902-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF AMYLOID PEPTIDE INTERACTIONS WITH GLYCOSAMINOGLYCANS, METHODS OF TREATMENT, AND USE THEREOF Gismo Therapeutics, Inc. (US) 2024-07-17 EP disclosed
CN-117999075-A Compounds and pharmaceutical compositions comprising inhibitors of amyloid peptide interaction with glycosaminoglycans, methods of treatment, and uses thereof 吉斯莫治疗股份有限公司 2024-05-07 CN disclosed
WO-2023038876-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF AMYLOID PEPTIDE INTERACTIONS WITH GLYCOSAMINOGLYCANS, METHODS OF TREATMENT, AND USE THEREOF GISMO THERAPEUTICS, INC. (US) 2023-03-16 WO disclosed