SCHEMBL29923830

SCHEMBL29923830

COc1ccc2nncc(Br)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
LMNA P02545 3/20 0.41
POLB P06746 3/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
NQO2 P16083 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
EGFR P00533 2/20 0.40
HSD17B10 Q99714 3/20 0.40
BCHE P06276 3/20 0.39
ACHE P22303 3/20 0.39
CHRM1 P11229 1/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.39
GFER P55789 1/20 0.39
HPGD P15428 1/20 0.39
CCNA2 P20248 2/20 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
SCHEMBL24915825 1.00 KDM4E (0.41) KDM4ELMNAPOLBMEN1ALDH1A1
SCHEMBL1663396 0.79 CNR1 (0.43) KDM4ELMNAPOLBMEN1ALDH1A1
SCHEMBL1663614 0.79 TRIM24 (0.46) KDM4ELMNAPOLBMEN1ALDH1A1
SCHEMBL29923693 0.79 TRIM24 (0.46) KDM4ELMNAPOLBMEN1ALDH1A1
SCHEMBL11195737 0.77 KDM4E (0.52) KDM4ELMNAPOLBMEN1ALDH1A1
SCHEMBL24916024 0.77 CNR1 (0.41) KDM4ELMNAPOLBMEN1ALDH1A1
SCHEMBL2209746 0.75 PDE10A (0.50) ALDH1A1CYP1A2
SCHEMBL31467684 0.75 PDE10A (0.50) ALDH1A1CYP1A2
SCHEMBL29923390 0.74 LMNA (0.58) KDM4ELMNAEGFRMAPTCYP1A2
SCHEMBL590225 0.74 LMNA (0.58) KDM4ELMNAEGFRMAPTCYP1A2

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