SCHEMBL10402768

SCHEMBL10402768

O=C(Cl)C(NC(=O)N1CCN(c2cccc(Cl)c2)C(=O)C1=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 1/20 0.41
▸ CACNA1B Q00975 1/20 0.41
▸ CACNB1 Q02641 1/20 0.41
▸ CACNA1C Q13936 1/20 0.41
▸ TSHR P16473 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ METAP2 P50579 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL11607315 0.81 MEN1 (0.41) LMNASMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL10755843 0.77 KMT2A (0.40) CACNA2D1CACNA1BCACNB1CACNA1CLMNA
SCHEMBL8600205 0.74 POLB (0.40) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL10754281 0.74 BRD4 (0.43) NPSR1ALDH1A1SMN1; SMN2KMT2ACYP2D6
SCHEMBL10543158 0.74 POLB (0.40) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL10702187 0.74 LMNA (0.35) LMNAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL10751872 0.73 MEN1 (0.52) CACNA2D1CACNA1BCACNB1CACNA1CLMNA
SCHEMBL10700196 0.72 TSHR (0.36) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL8622094 0.72 MEN1 (0.38) CACNA2D1CACNA1BCACNB1CACNA1CLMNA
SCHEMBL8626924 0.69 CACNA2D1 (0.39) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1

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-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
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