SCHEMBL8907679

SCHEMBL8907679

CC(C)(C)OC(=O)NCCNC(=O)c1ccc(-c2c3nc(c(-c4ccc(C(=O)NCCNC(=O)OC(C)(C)C)cc4)c4ccc([nH]4)c(-c4ccc(C(=O)NCCNC(=O)OC(C)(C)C)cc4)c4nc(c(-c5ccc(C(=O)NCCNC(=O)OC(C)(C)C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 3/20 0.52
▸ CYCS P99999 4/20 0.51
▸ ABCG2 Q9UNQ0 1/20 0.47
▸ BCHE P06276 1/20 0.45
▸ DGAT1 O75907 1/20 0.42
▸ ENPP2 Q13822 1/20 0.42
▸ CD274 Q9NZQ7 1/20 0.40
▸ SUV39H2 Q9H5I1 1/20 0.40
▸ CFTR P13569 1/20 0.40
▸ EGFR P00533 1/20 0.39
▸ HPN P05981 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ TERT O14746 2/20 0.39

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
SCHEMBL8906606 0.96 TOP1 (0.60) TOP1CYCSABCG2BCHEDGAT1
SCHEMBL9429433 0.96 TOP1 (0.60) TOP1CYCSABCG2BCHEDGAT1
SCHEMBL8908782 0.82 TOP1 (0.58) TOP1CYCSABCG2ENPP2TERT
SCHEMBL20124911 0.80 TOP1 (0.60) TOP1CYCSABCG2ENPP2TERT
SCHEMBL19718147 0.79 ABCG2 (0.57) TOP1CYCSABCG2ENPP2TERT
SCHEMBL9429267 0.78 TOP1 (0.58) TOP1CYCSABCG2
SCHEMBL9429473 0.77 TOP1 (0.54) TOP1CYCSABCG2ENPP2TERT
SCHEMBL9230039 0.77 CA1 (0.51) TOP1CYCSABCG2
SCHEMBL9429681 0.76 TOP1 (0.70) TOP1CYCSABCG2ENPP2TERT
SCHEMBL10120460 0.76 TOP1 (0.52) TOP1CYCSABCG2

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
EP-0336879-B1 Meso-tetraphenylporphyrin complex compounds,process for their preparation and pharmaceuticals containing them SCHERING AG (DE) 1997-01-22 — — EP disclosed
EP-0336879-A1 Meso-tetraphenylporphyrin complex compounds,process for their preparation and pharmaceuticals containing them SCHERING AKTIENGESELLSCHAFT (DE) 1989-10-11 — — EP disclosed
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