SCHEMBL23847337

SCHEMBL23847337

CSc1c2c(c(C#N)c3c1CCC3)CCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.49
L3MBTL1 Q9Y468 3/20 0.40
HTT P42858 4/20 0.40
GLA P06280 1/20 0.40
KDM4E B2RXH2 7/20 0.39
GAA P10253 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 4/20 0.38
MAPK1 P28482 2/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 2/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
HPGD P15428 5/20 0.37
HIF1A Q16665 1/20 0.37
POLB P06746 2/20 0.36
APEX1 P27695 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL22011764 0.75 ALDH1A1 (0.47) ALDH1A1L3MBTL1HTTGLAKDM4E
SCHEMBL9748738 0.73 MAPK1 (0.45) ALDH1A1L3MBTL1HTTGLAKDM4E
SCHEMBL19474937 0.70 ALDH1A1 (0.47) ALDH1A1L3MBTL1HTTKDM4EGAA
SCHEMBL22905417 0.70
SCHEMBL22905486 0.70 ALDH1A1 (0.39) ALDH1A1L3MBTL1HTTGLAKDM4E
SCHEMBL20933020 0.70 ALDH1A1 (0.39) ALDH1A1L3MBTL1HTTGLAKDM4E
SCHEMBL23847349 0.70 ALDH1A1 (0.47) ALDH1A1L3MBTL1HTTGLAKDM4E
SCHEMBL22899683 0.70 HTT (0.47) ALDH1A1L3MBTL1HTTGLAKDM4E
SCHEMBL9748593 0.68 MAPK1 (0.50) ALDH1A1L3MBTL1HTTGLAKDM4E
SCHEMBL24016786 0.65 ALDH1A1 (0.35) ALDH1A1L3MBTL1HTTGLAKDM4E

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-2021188450-A1 NLRP3 MODULATORS ZOMAGEN BIOSCIENCES LTD (US) 2021-09-23 WO disclosed