SCHEMBL10401841

SCHEMBL10401841

CCN1CCN(C(=O)NC(C(=O)Cl)c2cccs2)C(=O)C1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ POLB P06746 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ CACNA2D1 P54289 1/20 0.35

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
SCHEMBL9685758 0.90 HDAC1 (0.43) HDAC1HDAC2TP53ALDH1A1L3MBTL1
SCHEMBL10721877 0.90 HDAC1 (0.41) HDAC1HDAC2TP53ALDH1A1L3MBTL1
SCHEMBL10721880 0.89 HDAC1 (0.43) HDAC1HDAC2TP53ALDH1A1L3MBTL1
SCHEMBL9347501 0.82 HDAC1 (0.41) HDAC1HDAC2TP53ALDH1A1L3MBTL1
SCHEMBL10543158 0.81 POLB (0.40) ALDH1A1TSHRKMT2AMEN1GAA
SCHEMBL8600205 0.81 POLB (0.40) ALDH1A1TSHRKMT2AMEN1GAA
SCHEMBL11179902 0.81 ALDH1A1 (0.46) HDAC1HDAC2TP53ALDH1A1L3MBTL1
SCHEMBL10971675 0.81 HDAC1 (0.40) HDAC1HDAC2TP53ALDH1A1L3MBTL1
SCHEMBL10544295 0.80 L3MBTL1 (0.36) HDAC1HDAC2TP53ALDH1A1L3MBTL1
SCHEMBL11404443 0.80 MAPT (0.38) HDAC1HDAC2TP53ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4940702-A Cephem compounds BEECHAM GROUP P.L.C. (GB) 1990-07-10 — — US disclosed
EP-0211656-A2 Cephalosporin derivatives, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1987-02-25 — — EP disclosed
EP-0043205-B1 PENICILLIN DERIVATIVES BEECHAM GROUP PLC (GB) 1984-09-26 — — EP disclosed
EP-0114750-A2 Beta-lactam antibacterial agents BEECHAM GROUP PLC (GB) 1984-08-01 — — EP disclosed
US-4416883-A ANTIBIOTICS BEECHAM GROUP LIMITED (GB) 1983-11-22 — — US disclosed
EP-0043205-A1 Penicillin derivatives BEECHAM GROUP PLC (GB) 1982-01-06 — — EP disclosed
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