SCHEMBL26328298

SCHEMBL26328298

Cc1ccc2[nH]cc(CC(N)C(=O)O)c2c1N=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 4/20 0.50
▸ HTR2C P28335 4/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ BLM P54132 3/20 0.50
▸ HTR2B P41595 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ PMP22 Q01453 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ HTR1A P08908 2/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ ADORA3 P0DMS8 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ SLC6A4 P31645 1/20 0.50
▸ HTR7 P34969 1/20 0.50

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
SCHEMBL20551239 0.84 KMT2A (0.55) HTR2AHTR2CKMT2AKDM4EMAPT
SCHEMBL20551860 0.81 KMT2A (0.51) HTR2AHTR2CKMT2AKDM4EMAPT
SCHEMBL29406297 0.79 KMT2A (0.62) HTR2AHTR2CKMT2AKDM4EMAPT
SCHEMBL21055747 0.79 KMT2A (0.62) HTR2AHTR2CKMT2AKDM4EMAPT
SCHEMBL109837 0.79 KMT2A (0.62) HTR2AHTR2CKMT2AKDM4EMAPT
SCHEMBL109838 0.79 KMT2A (0.62) HTR2AHTR2CKMT2AKDM4EMAPT
SCHEMBL18028997 0.79 KMT2A (0.62) HTR2AHTR2CKMT2AKDM4EMAPT
SCHEMBL29556951 0.79 KMT2A (0.62) HTR2AHTR2CKMT2AKDM4EMAPT
SCHEMBL20551861 0.79 KMT2A (0.49) HTR2AHTR2CKMT2AKDM4EMAPT
SCHEMBL18000149 0.78 PTPRA (0.55) HTR2AHTR2CKMT2AKDM4EMAPT

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
US-20240229090-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-07-11 — — US disclosed
US-20230287466-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH (US) 2023-09-14 — — US disclosed
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