SCHEMBL22299563

SCHEMBL22299563

CC(=O)NCCCCCNC(C)C

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.70
MAPK1 P28482 1/20 0.70
HIF1A Q16665 1/20 0.70
PAOX Q6QHF9 3/20 0.57
ADRA1A P35348 1/20 0.55
EPHX1 P07099 6/20 0.46
TSHR P16473 1/20 0.41
ALDH1A1 P00352 3/20 0.40
ALDH1A2 O94788 1/20 0.40
ALDH2 P05091 1/20 0.40
ALDH1A3 P47895 1/20 0.40
NAMPT P43490 1/20 0.40
FOLH1 Q04609 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL22837744 1.00 KDM4E (0.70) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL22861693 1.00 KDM4E (0.70) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL21452622 0.98 KDM4E (0.65) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL16750033 0.93 KDM4E (0.58) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL25477591 0.90 PAOX (0.60) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL22802988 0.88 KDM4E (0.54) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL21106556 0.88 KDM4E (0.59) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL23806728 0.84 KDM4E (0.48) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL2390501 0.84 KDM4E (0.50) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL1900654 0.83 KDM4E (1.00) KDM4EMAPK1HIF1APAOXADRA1A

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
WO-2020156513-A1 BI-LIGAND DRUG CONJUGATE AND USE THEREOF 同宜医药(苏州)有限公司 2020-08-06 WO disclosed
WO-2020160192-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2020-08-06 WO disclosed