SCHEMBL27363066

SCHEMBL27363066

CCCc1cccc2nc3c(cc12)Cn1c-3cc2c(c1=O)COC(=O)[C@]2(O)CC

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.81
▸ ALDH1A1 P00352 3/20 0.80
▸ GLA P06280 3/20 0.80
▸ RECQL P46063 2/20 0.80
▸ TDP1 Q9NUW8 2/20 0.80
▸ MEN1 O00255 2/20 0.80
▸ KMT2A Q03164 2/20 0.80
▸ SMN1; SMN2 Q16637 2/20 0.80
▸ KDM4E B2RXH2 3/20 0.79
▸ RAB9A P51151 2/20 0.79
▸ BLM P54132 2/20 0.79
▸ POLB P06746 1/20 0.79
▸ MAPT P10636 1/20 0.79
▸ ABCC4 O15439 2/20 0.74
▸ HTT P42858 2/20 0.74
▸ ABCC3 O15438 1/20 0.74
▸ ACHE P22303 1/20 0.74
▸ PTGS1 P23219 1/20 0.74
▸ ABCC2 Q92887 1/20 0.74
▸ TP53 P04637 2/20 0.74

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
Hydrochloric Acid SCHEMBL27363068 0.99 TOP1 (0.80) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL3847426 0.94 TOP1 (0.85) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL27489142 0.94 TOP1 (0.85) TOP1ALDH1A1GLARECQLTDP1
Karenitecin SCHEMBL29537807 0.94 TOP1 (0.79) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL23432292 0.93 TOP1 (0.78) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL8481539 0.93 TOP1 (0.86) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL27864931 0.92 TOP1 (0.82) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL27479908 0.92 TOP1 (0.84) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL8484359 0.92 TOP1 (0.84) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL8204358 0.92 TOP1 (0.81) TOP1ALDH1A1GLARECQLTDP1

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
CN-1142935-C Comptothecin compounds and preparation thereof ������ҩ��ʽ���� 2004-03-24 — — CN disclosed
CN-1073113-C Camptothecin derivative and preparation method and application thereof TANABE SEIYAKU CO (JP) 2001-10-17 — — CN disclosed
CN-1300733-A Comptothecin compounds and preparation thereof TANABE SEIYAKU CO (JP) 2001-06-27 — — CN disclosed
CN-1158334-A Camptothecin derivatives TANABE SEIYAKU CO (JP) 1997-09-03 — — CN disclosed
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