SCHEMBL5320005

SCHEMBL5320005

N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCC[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.60
▸ LMNA P02545 3/20 0.60
▸ KDM4E B2RXH2 3/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ MPO P05164 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ BLM P54132 1/20 0.60
▸ PMP22 Q01453 1/20 0.60
▸ HIF1A Q16665 1/20 0.60
▸ TACR1 P25103 2/20 0.58
▸ PTPRA P18433 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ HTR2A P28223 2/20 0.48
▸ ADRB1 P08588 1/20 0.48
▸ HTR1A P08908 1/20 0.48
▸ ADRA2A P08913 1/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ HTR1D P28221 1/20 0.48

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
SCHEMBL18000223 0.84 MAPT (0.64) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL18274732 0.84 MAPT (0.67) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL18274731 0.84 MAPT (0.67) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL5925171 0.84 MAPT (0.67) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL5925173 0.84 MAPT (0.67) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL10586676 0.83 TACR1 (0.66) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL27568427 0.83 TACR1 (0.66) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL23723484 0.82 MAPT (0.76) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL29472033 0.82 MAPT (0.76) MAPTLMNAKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL10587119 0.82 TACR1 (0.65) MAPTLMNAKDM4EMEN1KMT2A

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-2007075931-A2 REACTIVE HETEROCYCLIC DERIVATIVES AND METHODS FOR THEIR SYNTHESIS AND USE BIOSITE INCORPORATED (US) 2007-07-05 — — WO disclosed
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