SCHEMBL8994447

SCHEMBL8994447

CC(=O)Nc1ccc(-c2c3nc(c(-c4ccc(NC(C)=O)cc4)c4ccc([nH]4)c(-c4ccc(NC(C)=O)cc4)c4nc(c(-c5ccc(NC(C)=O)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.60
▸ CYCS P99999 3/20 0.58
▸ ABCG2 Q9UNQ0 1/20 0.56
▸ ENPP2 Q13822 1/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ HTT P42858 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ TERT O14746 3/20 0.50
▸ KDM4E B2RXH2 4/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ MTNR1A P48039 2/20 0.48
▸ MTNR1B P49286 2/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ HPGD P15428 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ TP53 P04637 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ NPC1 O15118 1/20 0.47

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
SCHEMBL9910535 0.95 ABCG2 (0.55) TOP1CYCSABCG2ENPP2SMN1; SMN2
SCHEMBL14077524 0.93 ABCG2 (0.54) TOP1CYCSABCG2ENPP2SMN1; SMN2
SCHEMBL7241022 0.93 TOP1 (0.58) TOP1CYCSABCG2ENPP2SMN1; SMN2
SCHEMBL7265156 0.88 MTNR1A (0.53) TOP1CYCSABCG2ENPP2SMN1; SMN2
SCHEMBL7239829 0.88 ALDH1A1 (0.54) TOP1CYCSABCG2ENPP2SMN1; SMN2
SCHEMBL1974241 0.88 TOP1 (0.68) TOP1CYCSABCG2ENPP2SMN1; SMN2
SCHEMBL22461493 0.85 TERT (0.58) TOP1CYCSABCG2ENPP2TERT
SCHEMBL22461492 0.85 TERT (0.58) TOP1CYCSABCG2ENPP2TERT
SCHEMBL22461491 0.85 TERT (0.58) TOP1CYCSABCG2ENPP2TERT
SCHEMBL7241342 0.84 TOP1 (0.44) TOP1CYCSABCG2SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0501515-B1 Optical recording material TORAY INDUSTRIES (JP) 1996-08-21 — — EP disclosed
US-5306599-A Optical recording material TORAY INDUSTRIES, INC. (JP) 1994-04-26 — — US disclosed
EP-0501515-A1 Optical recording material TORAY INDUSTRIES, INC. (JP) 1992-09-02 — — EP disclosed
US-4837221-A ADMINISTERING PORPHYRIN DERIVATIVE TO LOCATE TUMOR, ILLUMINATING WITH LIGHT EFAMOL LTD. (GB) 1989-06-06 — — US disclosed
EP-0186962-A1 Porphyrins and cancer treatment EFAMOL LIMITED (GB) 1986-07-09 — — EP disclosed
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