SCHEMBL14310596

SCHEMBL14310596

CNCCCn1cncn1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.44
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL25784833 0.79 EGLN3 (0.41) EGLN3TLR8TLR7MEN1KMT2A
SCHEMBL2535061 0.78 EGLN3 (0.54) EGLN3MEN1KMT2AMAPTLMNA
Hydrochloric Acid SCHEMBL2530861 0.76 EGLN3 (0.52) EGLN3MEN1KMT2AMAPTLMNA
SCHEMBL11471409 0.73 TBXAS1 (0.46) EGLN3TLR8TLR7MEN1KMT2A
SCHEMBL11485316 0.73 TBXAS1 (0.46) EGLN3TLR8TLR7MEN1KMT2A
SCHEMBL23609758 0.73 EGLN3 (0.46) EGLN3TLR8TLR7MEN1KMT2A
SCHEMBL11471431 0.73 TBXAS1 (0.46) EGLN3TLR8TLR7MEN1KMT2A
SCHEMBL11488575 0.73 TBXAS1 (0.46) EGLN3TLR8TLR7MEN1KMT2A
SCHEMBL11479603 0.73 TBXAS1 (0.46) EGLN3TLR8TLR7MEN1KMT2A
SCHEMBL11471344 0.73 TBXAS1 (0.46) EGLN3TLR8TLR7MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021195346-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2021-09-30 WO disclosed
WO-2021133689-A2 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2021-07-01 WO disclosed
EP-1878733-A1 Pyrimidine derivatives as ALK-5 inhibitors Novartis AG (CH) 2008-01-16 EP disclosed