SCHEMBL23905944

SCHEMBL23905944

Cc1cc(COc2ccc3c(c2C#N)OCCC3=O)cc(C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.43
GRM5 P41594 9/20 0.41
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
MAOA P21397 2/20 0.34

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
SCHEMBL23906010 0.85 MRGPRX4 (0.49) MAOBGRM5ALDH1A1HPGDSMN1; SMN2
SCHEMBL32675527 0.82 MAOB (0.42) MAOBGRM5ALDH1A1HPGDSMN1; SMN2
SCHEMBL23882634 0.82 MAOB (0.42) MAOBGRM5ALDH1A1HPGDSMN1; SMN2
SCHEMBL26160799 0.77 MAOB (0.35) MAOBGRM5
SCHEMBL26160796 0.77 MAOB (0.35) MAOBGRM5
SCHEMBL26160798 0.76 MAOB (0.35) MAOBGRM5
SCHEMBL23905919 0.75 MAOB (0.59) MAOBGRM5ALDH1A1HPGDSMN1; SMN2
SCHEMBL23905971 0.74 GRM5 (0.63) MAOBGRM5ALDH1A1HPGDSMN1; SMN2
SCHEMBL30251144 0.73 RPS27 (0.32) LTB4RLTB4R2
SCHEMBL23882751 0.73 RPS27 (0.32) LTB4RLTB4R2

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-2021198283-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR JANSSEN PHARMACEUTICA NV (BE) 2021-10-07 WO disclosed