SCHEMBL31548632

SCHEMBL31548632

BrCCN1CN(c2ccccc2)C=N1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL28115961 0.78 ALDH1A1 (0.41)
SCHEMBL31548634 0.75 SIGMAR1 (0.44)
SCHEMBL28115619 0.75 MAPT (0.43) HPGD
Propylamine SCHEMBL11279812 0.73 HTR1A (0.37) SMN1; SMN2
SCHEMBL21864339 0.72 SMN1; SMN2 (0.38) NPC1HPGDRAB9ASMN1; SMN2
Iodide SCHEMBL27085276 0.71 NPC1 (0.37) NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL28094721 0.70 MEN1 (0.36)
SCHEMBL3861449 0.70 MAPT (0.41) NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL28115806 0.70 MEN1 (0.33)
SCHEMBL8997500 0.68 NPC1 (0.38) NPC1HPGDRAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119798358-A Process for preparing ursolic acid derivatives 大连大学 2025-04-11 CN disclosed