SCHEMBL27271302

SCHEMBL27271302

O=CN1CCNCC1.O=[N+]([O-])c1ccccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.44
▸ RECQL P46063 2/20 0.44
▸ ADRB1 P08588 1/20 0.44
▸ SIRT6 Q8N6T7 1/20 0.44
▸ HTR7 P34969 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ DPP4 P27487 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MAPK1 P28482 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
Piperazine SCHEMBL27288925 0.81 HSD17B10 (0.52) RECQLALDH1A1SMN1; SMN2MAPK1
Benzene SCHEMBL27632184 0.77 SIGMAR1 (0.44) ADRB1HTR7ALDH1A1POLBHTR6
SCHEMBL113133 0.76 HTR7 (0.60) MAPTRECQLADRB1SIRT6HTR7
SCHEMBL29876153 0.76 HTR7 (0.60) MAPTRECQLADRB1SIRT6HTR7
Hydrochloric Acid SCHEMBL29947196 0.75 MAPT (0.59) MAPTRECQLADRB1SIRT6HTR7
Hydrochloric Acid SCHEMBL15821250 0.75 MAPT (0.59) MAPTRECQLADRB1SIRT6HTR7
SCHEMBL7821226 0.75 HTT (0.61) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL27276371 0.74 SIGMAR1 (0.41) ADRB1ALDH1A1SMN1; SMN2POLBHTR6
SCHEMBL28118979 0.74 TSHR (0.49) MAPTADRB1HTR7ALDH1A1POLB
SCHEMBL10578128 0.74 CA2 (0.35) ADRB1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1016171-B Synthesis method of high-purity P, P' -diaminobenzoyl piperazine UNIV SHANGHAI (CN) 1992-04-08 — — CN claimed
CN-1039020-A High purity P, P '-diaminobenzene formyl piperazine synthetic UNIV SHANGHAI (CN) 1990-01-24 — — CN claimed
CN-1016171-B Synthesis method of high-purity P, P' -diaminobenzoyl piperazine UNIV SHANGHAI (CN) 1992-04-08 — — CN disclosed
CN-1039020-A High purity P, P '-diaminobenzene formyl piperazine synthetic UNIV SHANGHAI (CN) 1990-01-24 — — CN disclosed
CN-1039020-A High purity P, P '-diaminobenzene formyl piperazine synthetic UNIV SHANGHAI (CN) 1990-01-24 — — CN disclosed
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