SCHEMBL27744048

SCHEMBL27744048

N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ LMNA P02545 3/20 0.54
▸ MAPT P10636 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ MPO P05164 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ PMP22 Q01453 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ TACR1 P25103 2/20 0.51
▸ CDK2 P24941 3/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ PTPRA P18433 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ CYP2C19 P33261 1/20 0.45
▸ DNMT1 P26358 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL28649897 0.85 KMT2A (0.61) KMT2AKDM4ELMNAMAPTMEN1
Dl-Tryptophan SCHEMBL27744051 0.83 KMT2A (0.70) KMT2AKDM4ELMNAMAPTMEN1
SCHEMBL9540559 0.83 TACR1 (0.61) KMT2AKDM4ELMNAMAPTMEN1
SCHEMBL1358032 0.83 MAPT (0.58) KMT2AKDM4ELMNAMAPTMEN1
SCHEMBL289044 0.82 MAPT (0.74) KMT2AKDM4ELMNAMAPTMEN1
SCHEMBL475351 0.82 MAPT (0.74) KMT2AKDM4ELMNAMAPTMEN1
SCHEMBL1653790 0.80 KMT2A (0.53) KMT2AKDM4ELMNAMAPTMEN1
SCHEMBL8740387 0.80 KMT2A (0.53) KMT2AKDM4ELMNAMAPTMEN1
SCHEMBL18000223 0.80 MAPT (0.64) KMT2AKDM4ELMNAMAPTMEN1
Ammonia Solution, Strong SCHEMBL5385746 0.80 KMT2A (0.52) KMT2AKDM4ELMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101463074-B Method for synthesizing cell toxic alkaloid and epimer thereof UNIV XIAMEN 2011-06-29 — — CN disclosed
CN-101463074-A Method for synthesizing cell toxic alkaloid and epimer thereof UNIV XIAMEN (CN) 2009-06-24 — — CN disclosed
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