SCHEMBL17870801

SCHEMBL17870801

CC(C)(C)OC(=O)CNCCn1c(=O)[nH]cc(-c2cccc(F)c2Cl)c1=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.33
PTPRC P08575 2/20 0.33
HIF1A Q16665 1/20 0.32
DGAT2 Q96PD7 1/20 0.32
VSIR Q9H7M9 1/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
JAK3 P52333 1/20 0.31
SCN9A Q15858 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
CCNT1 O60563 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
CAMK2D Q13557 1/20 0.30
CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL17870711 0.87 IDO1 (0.43) IDO1PIM1PIM3SCN9ACAMK2D
SCHEMBL17870720 0.80 GNRHR (0.41) HIF1A
SCHEMBL28645646 0.80 CHEK1 (0.38) SMN1; SMN2
SCHEMBL28641642 0.78 KDM4E (0.45) JAK3SMN1; SMN2CD274
SCHEMBL21900258 0.76 APEX1 (0.42)
SCHEMBL19873965 0.74 JAK3 (0.37) JAK3SMN1; SMN2
SCHEMBL19873696 0.74 KDM4E (0.44) SMN1; SMN2
SCHEMBL30178581 0.73 CCNE2 (0.34) JAK3SMN1; SMN2
SCHEMBL17870782 0.73 CCNE2 (0.34) JAK3SMN1; SMN2
SCHEMBL21900230 0.73 FPR1 (0.41)

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-3237403-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2017-11-01 EP disclosed
WO-2016102882-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-06-30 WO disclosed