SCHEMBL21596922

SCHEMBL21596922

CCOc1ccc2noc(N)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
TERT O14746 1/20 0.50
ABCB11 O95342 1/20 0.50
LMNA P02545 1/20 0.50
THRB P10828 1/20 0.50
BLM P54132 1/20 0.50
HSD17B10 Q99714 6/20 0.48
ALDH1A1 P00352 6/20 0.48
TSHR P16473 4/20 0.48
TP53 P04637 3/20 0.48
CYP3A4 P08684 2/20 0.48
TYMS P04818 1/20 0.46
CASP1 P29466 4/20 0.45
CASP7 P55210 4/20 0.45
KDM4E B2RXH2 4/20 0.43
HPGD P15428 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL21596926 0.81 MEN1 (0.48) KMT2AMEN1LMNAALDH1A1TP53
SCHEMBL21596785 0.74 KDM4E (0.47) KMT2AMEN1TERTABCB11LMNA
SCHEMBL29652574 0.74 KDM4E (0.47) KMT2AMEN1TERTABCB11LMNA
SCHEMBL21596941 0.74 NPC1 (0.48) LMNABLMHSD17B10TP53CYP3A4
SCHEMBL10251292 0.72 NR4A2 (0.53) KMT2AMEN1TERTABCB11LMNA
SCHEMBL30513775 0.72 MAP4K4 (0.72) KMT2AMEN1TERTABCB11LMNA
SCHEMBL19122690 0.72 KMT2A (0.51) KMT2AMEN1TERTABCB11LMNA
SCHEMBL21596925 0.72 DYRK1A (0.44) KMT2AMEN1LMNAALDH1A1TYMS
SCHEMBL21596857 0.71 HTR3A (0.47) KMT2AMEN1TERTABCB11LMNA
SCHEMBL439655 0.70 ALDH1A1 (0.80) KMT2AMEN1TERTABCB11LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3810602-A1 COMPOUNDS CTXT Pty Limited (AU) 2021-04-28 EP disclosed
WO-2019243491-A1 COMPOUNDS CTXT PTY LIMITED (AU) 2019-12-26 WO disclosed