SCHEMBL28948666

SCHEMBL28948666

CC(C)(C)OC(=O)N1CCN(c2nnc([N+](=O)[O-])c(N)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ PTPN11 Q06124 1/20 0.48
▸ KCNH2 Q12809 1/20 0.45
▸ MAP4K4 O95819 1/20 0.44
▸ SMARCA2 P51531 1/20 0.43
▸ SMARCA4 P51532 1/20 0.43
▸ PBRM1 Q86U86 1/20 0.43
▸ GPR119 Q8TDV5 7/20 0.42
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ ACHE P22303 1/20 0.40
▸ CHRNA7 P36544 1/20 0.40
▸ PIK3CA P42336 2/20 0.39
▸ CKS1B P61024 1/20 0.39
▸ SKP1 P63208 1/20 0.39
▸ SKP2 Q13309 1/20 0.39

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
SCHEMBL30152357 1.00 MAPT (0.51) MAPTALDH1A1LMNAPTPN11KCNH2
SCHEMBL16854515 0.81 PTPN11 (0.51) MAPTALDH1A1LMNAPTPN11MAP4K4
SCHEMBL5009096 0.81 MAPT (0.50) MAPTALDH1A1LMNAPTPN11KCNH2
SCHEMBL13994729 0.81 ALDH1A1 (0.50) MAPTALDH1A1LMNAPTPN11KCNH2
SCHEMBL18163291 0.80 PTPN11 (0.58) MAPTALDH1A1LMNAPTPN11KCNH2
SCHEMBL10297496 0.75 GPR119 (0.55) MAPTALDH1A1LMNAPTPN11MAP4K4
SCHEMBL902777 0.74 KCNH2 (0.52) MAPTALDH1A1LMNAPTPN11KCNH2
SCHEMBL4233300 0.74 MAPT (0.53) MAPTALDH1A1LMNAPTPN11KCNH2
SCHEMBL29546457 0.74 MAP4K4 (0.59) MAPTALDH1A1LMNAPTPN11KCNH2
SCHEMBL110185 0.74 MAP4K4 (0.59) MAPTALDH1A1LMNAPTPN11KCNH2

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-108250196-B Process for the preparation of (piperazin-1-yl) -1-hydro-imidazoheteroaromatic compounds 上海汇伦医药股份有限公司 2022-12-30 — — CN disclosed
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