SCHEMBL28114587

SCHEMBL28114587

N=C(N)NCC(=O)Oc1ccc(F)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
SCN9A Q15858 1/20 0.36
MAOB P27338 2/20 0.35
AOC3 Q16853 1/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
PRSS1 P07477 1/20 0.35
TMPRSS15 P98073 1/20 0.35
SOS1 Q07889 1/20 0.35
KCNN4 O15554 1/20 0.34
MAOA P21397 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HIF1A Q16665 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL27712908 0.87 SLC7A5 (0.40) PRSS1TMPRSS15
SCHEMBL27677076 0.86 CDK8 (0.41) SCN9AKCNN4
SCHEMBL27532791 0.83 KMT2A (0.43) MAOBPRSS1KCNN4ALDH1A1LMNA
SCHEMBL27509338 0.81 KMT2A (0.43) SCN9AMAOBKCNN4MAOANPC1
SCHEMBL27462444 0.81 NR4A1 (0.39) NPC1HIF1AATMALDH1A1LMNA
SCHEMBL28114237 0.80 CYP4F2 (0.37) ALDH1A1KMT2ASLC6A3CES2CES1
SCHEMBL28796523 0.80 TP53 (0.40) ALDH1A1MAPTKMT2A
SCHEMBL27610108 0.79 KDM4E (0.40) ALDH1A1LMNACHRNA3
SCHEMBL15763945 0.79 KMT2A (0.42) SLC1A3SLC1A2SLC1A1SCN9AMAOB
SCHEMBL27357774 0.78 MAPT (0.41) PRSS1TMPRSS15NPC1RAB9AHIF1A

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
CN-102850934-B Fluorinated structured organic film compositions and manufacture method thereof 施乐公司 2017-05-17 CN disclosed
CN-102911553-B Comprise the solid-state phase changes ink composite of oxazoline 施乐公司 2016-12-21 CN disclosed