SCHEMBL14677758

SCHEMBL14677758

O=C(O)CCC(=O)NCc1ccc(-c2nncnn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.57
▸ TPSAB1 Q15661 3/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ THRB P10828 1/20 0.42

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
SCHEMBL1299177 0.92 GAA (0.53) HTTTPSAB1GAALMNAMEN1
SCHEMBL15748044 0.86 CYP3A4 (0.55) HTTTPSAB1ALDH1A1CYP3A4CYP2C19
SCHEMBL25457352 0.84 HTT (0.58) HTTTPSAB1ALDH1A1CYP3A4CYP2C19
SCHEMBL21301045 0.84 TPSAB1 (0.44) HTTTPSAB1ALDH1A1GAALMNA
SCHEMBL21301043 0.83 MEN1 (0.48) TPSAB1ALDH1A1GAALMNAMEN1
SCHEMBL26036197 0.82 TPSAB1 (0.49) TPSAB1ALDH1A1GAALMNAMEN1
SCHEMBL23879899 0.82 KMT2A (0.59) TPSAB1ALDH1A1CYP3A4CYP2C19GAA
SCHEMBL16384737 0.82 TPSAB1 (0.49) TPSAB1ALDH1A1GAALMNAMEN1
SCHEMBL14677833 0.81 HDAC1 (0.41) ALDH1A1KDM4E
SCHEMBL22009219 0.79 TSHR (0.39) HTTTPSAB1ALDH1A1CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023081809-A1 TRANS-CYCLOOCTENE-MODIFIED BISPECIFIC ANTIBODIES TAMBO, INC. (US) 2023-05-11 — — WO disclosed
EP-2742153-B1 PROTEIN AND PEPTIDE LIBRARIES MASSACHUSETTS GEN HOSPITAL (US) 2018-09-05 — — EP disclosed
EP-2742153-A1 PROTEIN AND PEPTIDE LIBRARIES The General Hospital Corporation (US) 2014-06-18 — — EP disclosed
WO-2013019794-A1 PROTEIN AND PEPTIDE LIBRARIES THE GENERAL HOSPITAL CORPORATION (US) 2013-02-07 — — WO disclosed
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