SCHEMBL21785590

SCHEMBL21785590

Cc1cc2c([nH]c1=O)CCCCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 3/20 0.56
HPGD P15428 3/20 0.56
HSD17B10 Q99714 2/20 0.56
NPSR1 Q6W5P4 1/20 0.54
ALOX15 P16050 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 3/20 0.41
ALOX12 P18054 1/20 0.41
PARP1 P09874 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
PDE9A O76083 1/20 0.40
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2B Q13224 2/20 0.39
GRIN2C Q14957 2/20 0.39
GRIN3A Q8TCU5 2/20 0.39
APOBEC3G Q9HC16 1/20 0.39

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
SCHEMBL21785278 1.00 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL26755843 1.00 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL435143 0.98 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL21785533 0.77 KDM4E (0.51) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL26756604 0.77 KDM4E (0.51) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL21785849 0.77 KDM4E (0.51) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL9802586 0.76 PKN1 (0.47) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL21284842 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL21040050 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL19706853 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10NPSR1

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-2020047184-A1 PYRAZOLO[3,4-b]PYRIDINE COMPOUNDS AS INHIBITORS OF TAM AND MET KINASES ARRAY BIOPHARMA INC. (US) 2020-03-05 WO disclosed