SCHEMBL27254151

SCHEMBL27254151

COc1ccc(N2CCN(Cc3ccc(O)c4ncccc34)CC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.75
▸ KDM4E B2RXH2 10/20 0.75
▸ KMT2A Q03164 7/20 0.70
▸ NPSR1 Q6W5P4 6/20 0.70
▸ ALOX12 P18054 5/20 0.70
▸ LMNA P02545 5/20 0.70
▸ HTT P42858 5/20 0.70
▸ RAB9A P51151 5/20 0.70
▸ NFKB1 P19838 4/20 0.70
▸ NFKB2 Q00653 4/20 0.70
▸ RELA Q04206 4/20 0.70
▸ SMN1; SMN2 Q16637 4/20 0.70
▸ MPI P34949 2/20 0.70
▸ APP P05067 2/20 0.66
▸ DRD4 P21917 2/20 0.64
▸ DRD3 P35462 2/20 0.64
▸ TP53 P04637 5/20 0.61
▸ L3MBTL1 Q9Y468 4/20 0.61
▸ ALDH1A1 P00352 3/20 0.61
▸ GAA P10253 2/20 0.61

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
SCHEMBL10839910 0.89 DRD2 (0.65) MAPTKDM4EKMT2ANPSR1ALOX12
SCHEMBL27253836 0.85 KDM4E (0.80) MAPTKDM4EKMT2ANPSR1ALOX12
SCHEMBL27253809 0.85 KDM4E (0.80) MAPTKDM4EKMT2ANPSR1ALOX12
SCHEMBL2518179 0.83 KDM4E (0.86) MAPTKDM4EKMT2ANPSR1ALOX12
SCHEMBL10839892 0.82 MAPT (1.00) MAPTKDM4EKMT2ANPSR1ALOX12
SCHEMBL27253895 0.82 KDM4E (0.75) MAPTKDM4EKMT2ANPSR1ALOX12
Hydrochloric Acid SCHEMBL5594620 0.82 KDM4E (0.83) MAPTKDM4EKMT2ANPSR1ALOX12
SCHEMBL27253843 0.81 KDM4E (0.69) MAPTKDM4EKMT2ANPSR1ALOX12
SCHEMBL13310328 0.80 KDM4E (0.75) MAPTKDM4EKMT2ANPSR1ALOX12
SCHEMBL5595007 0.80 KDM4E (0.78) MAPTKDM4EKMT2ANPSR1ALOX12

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-2024092083-A1 SMALL MOLECULAR WEIGHT CHEMICAL COMPOUND TO ANTAGONIZE EPH-EPHRIN TETRAMERIZATION AND INHIBIT BIDIRECTIONAL SIGNALING THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-05-02 — — WO disclosed
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