SCHEMBL8484350

SCHEMBL8484350

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CCC(=O)c4ccccc4)c(OC)ccc3nc2-1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 19/20 0.71
▸ MEN1 O00255 4/20 0.63
▸ KMT2A Q03164 4/20 0.63
▸ SMN1; SMN2 Q16637 4/20 0.63
▸ ALDH1A1 P00352 3/20 0.63
▸ GLA P06280 3/20 0.63
▸ RECQL P46063 2/20 0.63
▸ TDP1 Q9NUW8 2/20 0.63
▸ KDM4E B2RXH2 5/20 0.63
▸ MAPT P10636 3/20 0.63
▸ LMNA P02545 3/20 0.63
▸ HBB P68871 3/20 0.63
▸ HIF1A Q16665 3/20 0.63
▸ CYP3A4 P08684 2/20 0.63
▸ USP2 O75604 2/20 0.63
▸ CASP1 P29466 2/20 0.63
▸ BRCA1 P38398 2/20 0.63
▸ CASP7 P55210 2/20 0.63
▸ KEAP1 Q14145 2/20 0.63
▸ NFE2L2 Q16236 2/20 0.63

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
SCHEMBL27504830 1.00 TOP1 (0.71) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8480557 0.92 TOP1 (0.74) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8485653 0.92 TOP1 (0.73) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27461806 0.92 TOP1 (0.73) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8484253 0.92 TOP1 (0.73) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27464026 0.92 TOP1 (0.73) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8485179 0.91 TOP1 (0.77) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27463598 0.91 TOP1 (0.77) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27614075 0.89 TOP1 (0.76) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8484231 0.88 TOP1 (0.79) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1

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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