SCHEMBL24233058

SCHEMBL24233058

CSc1cccc(CN2CCOCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 1/20 0.60
▸ ALDH1A1 P00352 3/20 0.55
▸ HTT P42858 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ NOS1 P29475 1/20 0.55
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ HRH3 Q9Y5N1 3/20 0.49
▸ LMNA P02545 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ KDM1A O60341 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ CXCR4 P61073 1/20 0.46

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
SCHEMBL13800970 0.85 PRMT6 (0.57) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL13574521 0.84 ALDH1A1 (0.58) ALDH1A1KDM4EMEN1KMT2AHRH3
SCHEMBL11196105 0.83 NCF1 (0.83) NCF1ALDH1A1HTTKDM4EHPGD
SCHEMBL21884103 0.80 HRH3 (0.65) ALDH1A1KDM4ENOS1MEN1KMT2A
SCHEMBL10235392 0.79 NCF1 (0.71) NCF1ALDH1A1HTTKDM4EHPGD
SCHEMBL178443 0.79 NCF1 (0.66) NCF1ALDH1A1HTTKDM4EHPGD
SCHEMBL10190892 0.76 NCF1 (0.67) NCF1ALDH1A1HTTKDM4EHPGD
SCHEMBL10244180 0.76 NCF1 (0.67) NCF1ALDH1A1HTTKDM4EHPGD
SCHEMBL1663089 0.76 NCF1 (0.66) NCF1ALDH1A1HTTKDM4EHPGD
SCHEMBL22711383 0.76 NCF1 (0.71) NCF1ALDH1A1HTTKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024134657-A1 PYRROLOPYRIDINE AND PYRROLOPYRIDAZINE BASED COMPOUNDS AND USE THEREOF AS PKR INHIBITORS PROTEKT THERAPEUTICS LTD. (IL) 2024-06-27 — — WO disclosed
WO-2022026823-A1 CDK19-SELECTIVE INHIBITORS, AND METHODS OF USE THEREOF CHAN ZUCKERBERG BIOHUB, INC. (US) 2022-02-03 — — WO disclosed
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