SCHEMBL30193017

SCHEMBL30193017

COC(=O)C(C)c1cc(F)c(Br)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.41
SOS1 Q07889 1/20 0.35
AAK1 Q2M2I8 1/20 0.34
LMNA P02545 2/20 0.33
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE2A O00408 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
S1PR1 P21453 1/20 0.32
MAPK1 P28482 1/20 0.32
MT-CO2 P00403 1/20 0.32
ADRB2 P07550 2/20 0.32
EPHX1 P07099 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL24875667 1.00 NOTUM (0.41) NOTUMSOS1AAK1LMNAAKR1C3
SCHEMBL16207402 0.83 AAK1 (0.37) AAK1LMNAMT-CO2MEN1NPC1
SCHEMBL16216397 0.83 AAK1 (0.37) AAK1LMNAMT-CO2MEN1NPC1
SCHEMBL24875505 0.77 PSEN1 (0.41) NOTUMAKR1C3AKR1C2SMN1; SMN2S1PR1
SCHEMBL19182794 0.77 DPP4 (0.41) NOTUMAKR1C3AKR1C2S1PR1MT-CO2
SCHEMBL16216371 0.70 MT-CO2 (0.40) LMNAAKR1C3AKR1C2MT-CO2MEN1
SCHEMBL16207548 0.70 MT-CO2 (0.40) LMNAAKR1C3AKR1C2MT-CO2MEN1
SCHEMBL2130305 0.70 APLNR (0.50) AAK1LMNASMN1; SMN2MT-CO2NPC1
SCHEMBL21096066 0.70 ALDH1A1 (0.41) LMNASMN1; SMN2MT-CO2MEN1NPC1
SCHEMBL8321208 0.70 MT-CO2 (0.47) LMNAAKR1C3AKR1C2MT-CO2MEN1

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-4366829-A1 PHENYL ACETAMIDE BASED IL-17A MODULATORS AND USES THEREOF Dice Alpha, Inc. (US) 2024-05-15 EP disclosed
WO-2023283453-A1 PHENYL ACETAMIDE BASED IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. (US) 2023-01-12 WO disclosed