SCHEMBL31156502

SCHEMBL31156502

CSc1nc(-c2ccccc2)nc(O)c1C#N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.57
ALDH1A1 P00352 9/20 0.54
TSHR P16473 3/20 0.51
KDM4E B2RXH2 5/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
HSD17B10 Q99714 4/20 0.46
HPGD P15428 3/20 0.46
POLB P06746 2/20 0.46
USP2 O75604 1/20 0.46
MAPT P10636 2/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
ALOX12 P18054 1/20 0.43
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42

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
SCHEMBL31156465 0.87 NPSR1 (0.56) NPSR1ALDH1A1TSHRKDM4EL3MBTL1
SCHEMBL8382994 0.82 NPSR1 (0.59) NPSR1ALDH1A1TSHRKDM4EL3MBTL1
SCHEMBL8384543 0.78 NPSR1 (0.53) NPSR1ALDH1A1TSHRKDM4EL3MBTL1
SCHEMBL22208277 0.78 ADORA1 (0.66) NPSR1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL4787080 0.72 LMNA (0.50) NPSR1ALDH1A1TSHRKDM4EL3MBTL1
SCHEMBL4748855 0.72 NPSR1 (0.54) NPSR1ALDH1A1TSHRKDM4EKMT2A
SCHEMBL4787255 0.72 KDM4E (0.70) NPSR1ALDH1A1TSHRKDM4EKMT2A
SCHEMBL14070104 0.71 NPSR1 (0.45) NPSR1ALDH1A1TSHRKDM4EL3MBTL1
SCHEMBL8379758 0.71 KMT2A (0.43) NPSR1ALDH1A1TSHRKDM4EL3MBTL1
SCHEMBL4745137 0.71 RXFP1 (0.46) NPSR1ALDH1A1TSHRKDM4EL3MBTL1

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
CN-119013280-A Compound for regulating 15-PGDH activity and preparation method thereof 赛诺哈勃药业(成都)有限公司 2024-11-22 CN disclosed