SCHEMBL27479181

SCHEMBL27479181

CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cccc(CC(=O)O)c3nc2-1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 19/20 0.70
▸ ALDH1A1 P00352 3/20 0.70
▸ GLA P06280 3/20 0.70
▸ KDM4E B2RXH2 3/20 0.70
▸ MEN1 O00255 3/20 0.70
▸ KMT2A Q03164 3/20 0.70
▸ SMN1; SMN2 Q16637 3/20 0.70
▸ TP53 P04637 2/20 0.70
▸ HPGD P15428 2/20 0.70
▸ RAB9A P51151 2/20 0.70
▸ BLM P54132 2/20 0.70
▸ CYP3A4 P08684 2/20 0.70
▸ HBB P68871 2/20 0.70
▸ STAT6 P42226 1/20 0.70
▸ CHEK1 O14757 1/20 0.70
▸ HDAC3 O15379 1/20 0.70
▸ ABCC4 O15439 1/20 0.70
▸ GMNN O75496 1/20 0.70
▸ LMNA P02545 1/20 0.70
▸ CYP1A2 P05177 1/20 0.70

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
SCHEMBL8486195 0.92 TOP1 (0.76) TOP1ALDH1A1GLAKDM4EMEN1
SCHEMBL27547279 0.92 TOP1 (0.76) TOP1ALDH1A1GLAKDM4EMEN1
SCHEMBL8486044 0.92 TOP1 (0.69) TOP1ALDH1A1GLAKDM4EMEN1
SCHEMBL8486189 0.89 TOP1 (0.68) TOP1ALDH1A1GLAKDM4EMEN1
SCHEMBL27478380 0.89 TOP1 (0.68) TOP1ALDH1A1GLAKDM4EMEN1
SCHEMBL27479559 0.89 TOP1 (0.80) TOP1ALDH1A1GLAKDM4EMEN1
SCHEMBL27464835 0.88 TOP1 (0.67) TOP1ALDH1A1GLAKDM4EMEN1
SCHEMBL8480812 0.88 TOP1 (0.67) TOP1ALDH1A1GLAKDM4EMEN1
SCHEMBL8486186 0.88 TOP1 (0.67) TOP1ALDH1A1GLAKDM4EMEN1
SCHEMBL27478378 0.88 TOP1 (0.67) TOP1ALDH1A1GLAKDM4EMEN1

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
CN-1159192-A Substituted camptothecin derivatives and process for their preparation PHARMACIA & UPJOHN SPA (IT) 1997-09-10 — — CN claimed
CN-1159192-A Substituted camptothecin derivatives and process for their preparation PHARMACIA & UPJOHN SPA (IT) 1997-09-10 — — CN disclosed
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