SCHEMBL8485455

SCHEMBL8485455

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

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 17/20 0.83
▸ KDM4E B2RXH2 3/20 0.76
▸ RECQL P46063 2/20 0.76
▸ TDP1 Q9NUW8 2/20 0.76
▸ POLB P06746 2/20 0.76
▸ MAPT P10636 2/20 0.76
▸ RAB9A P51151 1/20 0.76
▸ BLM P54132 1/20 0.76
▸ GLA P06280 3/20 0.74
▸ SMN1; SMN2 Q16637 2/20 0.74
▸ MEN1 O00255 2/20 0.74
▸ ALDH1A1 P00352 2/20 0.74
▸ KMT2A Q03164 2/20 0.74
▸ ABCC3 O15438 1/20 0.69
▸ ABCC4 O15439 1/20 0.69
▸ ACHE P22303 1/20 0.69
▸ PTGS1 P23219 1/20 0.69
▸ HTT P42858 1/20 0.69
▸ ABCC2 Q92887 1/20 0.69
▸ NPC1 O15118 1/20 0.69

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
SCHEMBL27464421 1.00 TOP1 (0.83) TOP1KDM4ERECQLTDP1POLB
SCHEMBL8481539 0.94 TOP1 (0.86) TOP1KDM4ERECQLTDP1POLB
SCHEMBL27479908 0.93 TOP1 (0.84) TOP1KDM4ERECQLTDP1POLB
SCHEMBL8484359 0.93 TOP1 (0.84) TOP1KDM4ERECQLTDP1POLB
SCHEMBL27363066 0.91 TOP1 (0.81) TOP1KDM4ERECQLTDP1POLB
SCHEMBL8480459 0.91 TOP1 (0.81) TOP1KDM4ERECQLTDP1POLB
SCHEMBL27504835 0.91 TOP1 (0.81) TOP1KDM4ERECQLTDP1POLB
SCHEMBL8486347 0.91 TOP1 (1.00) TOP1KDM4ERECQLTDP1POLB
SCHEMBL27462223 0.91 TOP1 (1.00) TOP1KDM4ERECQLTDP1POLB
Hydrochloric Acid SCHEMBL27363068 0.91 TOP1 (0.80) TOP1KDM4ERECQLTDP1POLB

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-0777670-A1 SUBSTITUTED CAMPTOTHECIN DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.p.A. (IT) 1997-06-11 — — EP claimed
WO-1996037496-A1 SUBSTITUTED CAMPTOTHECIN DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.P.A. (IT) 1996-11-28 — — WO claimed
US-5856333-A ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 1999-01-05 — — US disclosed
EP-0777670-A1 SUBSTITUTED CAMPTOTHECIN DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.p.A. (IT) 1997-06-11 — — EP disclosed
WO-1996037496-A1 SUBSTITUTED CAMPTOTHECIN DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.P.A. (IT) 1996-11-28 — — WO disclosed
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