SCHEMBL31336779

SCHEMBL31336779

Cc1ccc(-c2nnn(C)n2)c(C=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SRC P12931 1/20 0.36
EPHX2 P34913 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KCNJ1 P48048 1/20 0.34
HCRTR1 O43613 2/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
PDK2 Q15119 1/20 0.33
ERN1 O75460 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
SCHEMBL6189224 0.80 PDK2 (0.44) RAB9ASMN1; SMN2EPHX2ALDH1A1NPC1
SCHEMBL19207092 0.75 CSNK2A1 (0.44) TP53RAB9ASMN1; SMN2ALDH1A1HCRTR1
SCHEMBL31336940 0.75 CSNK2A1 (0.44) TP53RAB9ASMN1; SMN2ALDH1A1HCRTR1
SCHEMBL2686250 0.72 ALDH1A1 (0.42) RAB9ASMN1; SMN2SRCALDH1A1HCRTR1
SCHEMBL7935346 0.68 SRC (0.44) RAB9ASMN1; SMN2SRCALDH1A1KDM4E
SCHEMBL5775 0.68 LTA4H (0.51) TP53RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL16278740 0.67 ERN1 (0.48) HCRTR1ERN1
SCHEMBL513853 0.66 LMNA (0.54) TP53RAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL6264 0.66 SMN1; SMN2 (0.43) TP53RAB9ASMN1; SMN2ALDH1A1KCNJ1
SCHEMBL12060815 0.66 CYP46A1 (0.50) RAB9ASRCALDH1A1KDM4EGAA

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-4688154-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - Portela & Ca., S.A. (PT) 2026-02-11 EP disclosed
WO-2025023851-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO disclosed