SCHEMBL8399090

SCHEMBL8399090

CCN(C(=O)C=NOC)c1ccccc1COc1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 7/20 0.43
MRGPRX4 Q96LA9 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
HTR1A P08908 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TSHR P16473 1/20 0.39
HTR6 P50406 1/20 0.38
MAOB P27338 2/20 0.38
NR4A2 P43354 1/20 0.36
DCPS Q96C86 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 1/20 0.35

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
SCHEMBL8395954 0.89 HIF1A (0.41) HIF1AMAOBMEN1KMT2A
SCHEMBL8398993 0.89 KMT2A (0.41) MAOBMEN1KMT2APARP15PARP10
SCHEMBL8399231 0.88 HIF1A (0.44) HIF1AMRGPRX4SLC6A2SLC6A4HTR1A
SCHEMBL8396214 0.87 MCL1 (0.43) HIF1AMRGPRX4MAOBNR4A2
SCHEMBL8396046 0.85 MAOB (0.40) HIF1AMAOBNR4A2MEN1KMT2A
SCHEMBL8399054 0.85 MEN1 (0.43) DCPSMEN1KMT2A
SCHEMBL8400198 0.84 TDP1 (0.40) HIF1AMAOBMEN1KMT2A
SCHEMBL8400207 0.84 CYP3A4 (0.38) HIF1AMAOBMEN1KMT2A
SCHEMBL8399105 0.83 FFAR1 (0.39) HIF1ATSHRMAOBMEN1KMT2A
SCHEMBL9241220 0.83 RECQL (0.41) HIF1ATSHRKMT2A

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-0644183-B1 Process of producing N-alkylacetamides SHIONOGI & CO (JP) 1999-06-02 EP disclosed
US-5498792-A Process of producing N-alkylacetamides SHIONOGI & CO., LTD. (JP) 1996-03-12 US disclosed