SCHEMBL31661821

SCHEMBL31661821

N=C(NO)c1ccc(Br)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.53
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
KMT2A Q03164 1/20 0.45
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
GPR27 Q9NS67 1/20 0.37
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
SLC6A4 P31645 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
KDM1A O60341 2/20 0.34
KDM1B Q8NB78 1/20 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
SCHEMBL241516 1.00 DGAT1 (0.53) DGAT1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL16074592 0.85 DGAT1 (0.50) DGAT1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL2132503 0.84 DGAT1 (0.40) DGAT1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL194112 0.82 CES2 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL3455630 0.80 ESR1 (0.37) DGAT1ALDH1A1
SCHEMBL20600120 0.80 LOXL2 (0.40) LMNASMN1; SMN2KMT2AHPGDKDM1A
SCHEMBL13234347 0.79 DGAT1 (0.45) DGAT1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL16029046 0.79 DGAT1 (0.45) DGAT1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL4586556 0.78 CYP11B2 (0.43) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL1439041 0.78 CRBN (0.37) DGAT1LMNAALDH1A1GAA

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-2025151705-A1 NOVEL INHIBITORS OF DNA DAMAGE REPAIR PATHWAY VRISE THERAPEUTICS, INC. (US) 2025-07-17 WO disclosed