SCHEMBL30718446

SCHEMBL30718446

O=C(N[C@H]1CCNC1)c1nc2ccccc2s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.69
CNR1 P21554 3/20 0.54
CNR2 P34972 1/20 0.54
CHRNA7 P36544 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
PKM P14618 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
ALDH1A1 P00352 3/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 2/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL28932676 0.82 MAOB (1.00) MAOBCNR1CNR2CHRNA7SMN1; SMN2
SCHEMBL6084702 0.80 MAOB (0.76) MAOBCNR1CNR2CHRNA7SMN1; SMN2
SCHEMBL21490032 0.80 MAOB (0.76) MAOBCNR1CNR2CHRNA7SMN1; SMN2
SCHEMBL19701364 0.80 MAOB (0.76) MAOBCNR1CNR2CHRNA7SMN1; SMN2
SCHEMBL6084707 0.80 MAOB (0.76) MAOBCNR1CNR2CHRNA7SMN1; SMN2
SCHEMBL14932236 0.78 MAOB (0.53) MAOBCNR1CNR2NPC1RAB9A
SCHEMBL14932230 0.78 MAOB (0.53) MAOBCNR1CNR2NPC1RAB9A
SCHEMBL21298994 0.77 DGAT1 (0.54)
SCHEMBL21489942 0.76 SMYD3 (0.74) MAOBCNR1CNR2CHRNA7SMN1; SMN2
SCHEMBL19701380 0.76 SMYD3 (0.74) MAOBCNR1CNR2CHRNA7SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4547247-A2 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF Dana-Farber Cancer Institute, Inc. (US) 2025-05-07 EP disclosed
WO-2024006956-A9 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-04-11 WO disclosed
WO-2024006956-A2 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-01-04 WO disclosed