SCHEMBL23708166

SCHEMBL23708166

Cc1ccc(CC2CCN(c3ccc(-c4ccccc4C)cc3C=O)C2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.44
CLK4 Q9HAZ1 5/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP1A2 P05177 4/20 0.36
CYP3A4 P08684 4/20 0.36
TSHR P16473 4/20 0.36
MAPK1 P28482 3/20 0.36
USP2 O75604 3/20 0.36
HIF1A Q16665 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C19 P33261 4/20 0.35
CYP2D6 P10635 2/20 0.33
KDM2B Q8NHM5 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
ABL1 P00519 1/20 0.33
CHRNB1 P11230 2/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNB4 P30926 2/20 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
SCHEMBL26774779 0.80 ACACB (0.42) CYP11B2
SCHEMBL26774753 0.71 LIPG (0.40) CLK4ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL3688350 0.71 ALDH1A1 (0.52) CLK4ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL3690932 0.71 HRH3 (0.47) ALDH1A1KDM2BL3MBTL1
SCHEMBL26620770 0.69 LIPG (0.56) LMNAMAPTL3MBTL1
SCHEMBL23702835 0.69 LIPG (0.56) LMNAMAPTL3MBTL1
SCHEMBL26775396 0.69 ACACB (0.39) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL26774735 0.69 LIPG (0.45) ALDH1A1MAPK1MEN1KMT2AKDM4E
SCHEMBL26774731 0.69 LIPG (0.45) ALDH1A1MAPK1MEN1KMT2AKDM4E
SCHEMBL3698002 0.68 MAPT (0.46) CLK4ALDH1A1CYP1A2CYP3A4TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021154966-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN TREATING SKIN DISORDERS KAMARI PHARMA LTD. (IL) 2021-08-05 WO disclosed