SCHEMBL29923693

SCHEMBL29923693

COc1ccc2nncc(O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.46
TYR P14679 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
ERN1 O75460 1/20 0.42
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
POLB P06746 3/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 1/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL1663614 1.00 TRIM24 (0.46) TRIM24TYRTRIM33ERN1KDM4E
SCHEMBL29589363 0.86 TLR8 (0.43) TRIM24TYRTRIM33ERN1KDM4E
SCHEMBL1666537 0.86 TLR8 (0.43) TRIM24TYRTRIM33ERN1KDM4E
SCHEMBL1663396 0.79 CNR1 (0.43) KDM4EALDH1A1LMNAPOLBHSD17B10
SCHEMBL29923830 0.79 KDM4E (0.41) KDM4EALDH1A1LMNAPOLBHSD17B10
SCHEMBL24915825 0.79 KDM4E (0.41) KDM4EALDH1A1LMNAPOLBHSD17B10
SCHEMBL11195737 0.77 KDM4E (0.52) KDM4EALDH1A1LMNAPOLBHSD17B10
SCHEMBL24916024 0.77 CNR1 (0.41) KDM4EALDH1A1LMNAPOLBHSD17B10
SCHEMBL2206398 0.75 PDE10A (0.54) CYP1A2
SCHEMBL11192735 0.75 RIPK2 (0.49) TRIM24TYRTRIM33KDM4EALDH1A1

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
EP-4055013-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2022-09-14 EP disclosed