SCHEMBL31068348

SCHEMBL31068348

O=C1c2cccnc2CN1c1ccc(Br)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.65
RAB9A P51151 5/20 0.65
TP53 P04637 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
MAPT P10636 1/20 0.65
CYP11B2 P19099 2/20 0.41
PKM P14618 3/20 0.41
KAT2B Q92831 1/20 0.40
GRM4 Q14833 1/20 0.40
UGCG Q16739 3/20 0.38
CHRM1 P11229 1/20 0.36
CDC25B P30305 1/20 0.36
PADI1 Q9ULC6 1/20 0.36
PADI3 Q9ULW8 1/20 0.36
PADI4 Q9UM07 1/20 0.36
PADI2 Q9Y2J8 1/20 0.36
TDP2 O95551 1/20 0.36
NSD2 O96028 1/20 0.36
S100A4 P26447 1/20 0.36
PAX8 Q06710 1/20 0.36

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
SCHEMBL22204175 0.77 NPC1 (0.49) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL29349029 0.76 NPC1 (0.41) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL31068159 0.76 NPC1 (0.41) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL29303343 0.75 CHRM1 (0.48) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL8710756 0.75 NPC1 (0.60) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL29610632 0.74 NPC1 (0.74) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL4150687 0.74 NPC1 (0.74) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL10086556 0.71 NPC1 (0.55) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL10314935 0.71 NPC1 (0.49) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL23511759 0.70 TP53 (0.51) NPC1RAB9ATP53SMN1; SMN2MAPT

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-4648853-A1 TARGETED DEGRADATION OF VAV1 Monte Rosa Therapeutics AG (CH) 2025-11-19 EP disclosed
WO-2024151547-A1 TARGETED DEGRADATION OF VAV1 MONTE ROSA THERAPEUTICS, INC. (US) 2024-07-18 WO disclosed