SCHEMBL4083412

SCHEMBL4083412

CC(C)n1ncc2cccc(Br)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.34
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
KMT2A Q03164 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GRM2 Q14416 1/20 0.31
BACE1 P56817 1/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
PDE1A P54750 3/20 0.30
PDE1B Q01064 3/20 0.30
PDE1C Q14123 3/20 0.30

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
SCHEMBL27142963 0.82 NOS1 (0.34) NOS1MEN1NPC1LMNAGLA
SCHEMBL30848040 0.82 NOS1 (0.34) NOS1MEN1NPC1LMNAGLA
SCHEMBL23308487 0.79 GABRA1 (0.36) MAPK1LMNAGLABRD4CREBBP
SCHEMBL20665049 0.79 ADRA2A (0.41) NOS1MAPK1ADRA2A
SCHEMBL2383365 0.76 NOS1 (0.37) NOS1MEN1NPC1LMNAGLA
SCHEMBL15808281 0.75 PDE1A (0.40) MAPK1L3MBTL1NPC1GLARAB9A
SCHEMBL28920149 0.74 GAA (0.34) MAPK1BACE1
SCHEMBL25240140 0.73 NQO2 (0.36) MAPK1NPC1RAB9APDE1APDE1B
SCHEMBL31750476 0.72 HTR2A (0.43) MAPK1PDE1C
SCHEMBL29122301 0.72 BACE1 (0.37) NOS1MEN1NPC1LMNAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025106644-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ALPHA-V BETA-1 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2025-05-22 WO disclosed
WO-2014092104-A1 OXADIAZOLE DERIVATIVE AND PHARMACEUTICAL USE OF SAME 大日本住友製薬株式会社 (JP) 2014-06-19 WO disclosed
WO-2009055674-A1 PYRROLOPYRIMIDINE ALKYNYL COMPOUNDS AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-04-30 WO disclosed
WO-2009055674-A1 PYRROLOPYRIMIDINE ALKYNYL COMPOUNDS AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-04-30 WO disclosed