SCHEMBL7627166

SCHEMBL7627166

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(NC(=N)c4ccccc4)cccc3nc2-1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 17/20 0.77
▸ GLA P06280 4/20 0.76
▸ KDM4E B2RXH2 4/20 0.76
▸ SMN1; SMN2 Q16637 3/20 0.76
▸ POLB P06746 2/20 0.76
▸ MAPT P10636 2/20 0.76
▸ HIF1A Q16665 2/20 0.76
▸ HSD17B10 Q99714 2/20 0.76
▸ RXFP1 Q9HBX9 2/20 0.76
▸ NPC1 O15118 1/20 0.76
▸ PAX8 Q06710 1/20 0.76
▸ L3MBTL1 Q9Y468 1/20 0.76
▸ NCOA3 Q9Y6Q9 1/20 0.76
▸ ALDH1A1 P00352 3/20 0.72
▸ RECQL P46063 2/20 0.72
▸ TDP1 Q9NUW8 2/20 0.72
▸ MEN1 O00255 2/20 0.72
▸ KMT2A Q03164 2/20 0.72
▸ RAB9A P51151 2/20 0.71
▸ BLM P54132 2/20 0.71

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
SCHEMBL27436073 1.00 TOP1 (0.77) TOP1GLAKDM4ESMN1; SMN2POLB
SCHEMBL7626808 0.92 TOP1 (0.67) TOP1GLAKDM4ESMN1; SMN2POLB
SCHEMBL27486617 0.92 TOP1 (0.67) TOP1GLAKDM4ESMN1; SMN2POLB
SCHEMBL27434176 0.92 TOP1 (0.81) TOP1GLAKDM4ESMN1; SMN2POLB
SCHEMBL7626877 0.92 TOP1 (0.81) TOP1GLAKDM4ESMN1; SMN2POLB
SCHEMBL27432677 0.90 TOP1 (0.77) TOP1GLAKDM4ESMN1; SMN2POLB
SCHEMBL7633084 0.90 TOP1 (0.77) TOP1GLAKDM4ESMN1; SMN2POLB
SCHEMBL5323807 0.88 TOP1 (0.81) TOP1GLAKDM4ESMN1; SMN2POLB
SCHEMBL17077988 0.88 TOP1 (0.78) TOP1GLAKDM4ESMN1; SMN2POLB
SCHEMBL18310362 0.87 TOP1 (1.00) TOP1GLAKDM4ESMN1; SMN2POLB

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-0694035-B1 WATER-SOLUBLE CAMPTOTHECIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2002-07-17 — — EP claimed
EP-0694035-B1 WATER-SOLUBLE CAMPTOTHECIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2002-07-17 — — EP disclosed
US-5602141-A WATER SOLUBILITY; TREATMENT OF LEUKEMIA PHARMACIA & UPJOHN S.P.A. (IT) 1997-02-11 — — US disclosed
EP-0694035-A1 WATER-SOLUBLE CAMPTOTHECIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 1996-01-31 — — EP disclosed
WO-1995022549-A1 WATER-SOLUBLE CAMPTOTHECIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA S.P.A. (IT) 1995-08-24 — — WO disclosed
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