SCHEMBL31415362

SCHEMBL31415362

Cn1ccc(-c2cc([N+](=O)[O-])ccc2Br)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.46
▸ PTPRC P08575 3/20 0.44
▸ S100A4 P26447 2/20 0.44
▸ CASP1 P29466 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ CASP4 P49662 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ CASP9 P55211 1/20 0.42
▸ CASP6 P55212 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CHEK1 O14757 1/20 0.40
▸ DAPK3 O43293 1/20 0.40
▸ GRK5 P34947 1/20 0.40
▸ LIMK1 P53667 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40

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
SCHEMBL14401081 0.80 TDP1 (0.50) MAPTCASP1CASP3CASP4CASP7
SCHEMBL16442404 0.77 HTT (0.51) MAPTALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL7741732 0.77 PTPRC (0.63) MAPTPTPRCS100A4CASP1CASP3
SCHEMBL26192840 0.77 S100A4 (0.41) MAPTS100A4ALDH1A1LMNASMN1; SMN2
SCHEMBL7895458 0.76 MAPT (0.45) MAPTPTPRCS100A4CASP1CASP3
SCHEMBL4629018 0.74 KEAP1 (0.55) MAPTCASP3ALDH1A1LMNASMN1; SMN2
SCHEMBL30177024 0.74 PIK3CD (0.42) MAPTALDH1A1LMNASMN1; SMN2CHEK1
SCHEMBL28983677 0.74 PIK3CD (0.42) MAPTALDH1A1LMNASMN1; SMN2CHEK1
SCHEMBL31415382 0.73 KEAP1 (0.53) MAPTALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL4458062 0.73 CASP3 (0.53) MAPTCASP3ALDH1A1LMNASMN1; 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
WO-2025054368-A1 COMPOUNDS, COMPOSITIONS, AND METHODS NICO THERAPEUTICS, INC. (US) 2025-03-13 — — WO disclosed
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