SCHEMBL9749459

SCHEMBL9749459

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(CN)ccc3nc2-1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.81
▸ MEN1 O00255 3/20 0.79
▸ KMT2A Q03164 3/20 0.79
▸ SMN1; SMN2 Q16637 3/20 0.79
▸ KDM4E B2RXH2 3/20 0.79
▸ ALDH1A1 P00352 3/20 0.79
▸ CYP3A4 P08684 2/20 0.79
▸ HBB P68871 2/20 0.79
▸ CASP1 P29466 1/20 0.79
▸ CASP7 P55210 1/20 0.79
▸ TP53 P04637 2/20 0.76
▸ GLA P06280 2/20 0.76
▸ HPGD P15428 2/20 0.76
▸ STAT6 P42226 1/20 0.76
▸ CHEK1 O14757 1/20 0.76
▸ HDAC3 O15379 1/20 0.76
▸ ABCC4 O15439 1/20 0.76
▸ GMNN O75496 1/20 0.76
▸ LMNA P02545 1/20 0.76
▸ CYP1A2 P05177 1/20 0.76

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
SCHEMBL7055883 0.93 TOP1 (0.81) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL29225713 0.93 TOP1 (0.81) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL23358409 0.93 TOP1 (0.82) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL2986960 0.93 TOP1 (0.82) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL28123033 0.92 TOP1 (0.81) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL5723890 0.92 TOP1 (0.81) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL7262395 0.92 TOP1 (0.80) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL18296582 0.91 TOP1 (0.79) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL18296774 0.90 TOP1 (0.77) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL27477076 0.90 TOP1 (0.79) TOP1MEN1KMT2ASMN1; SMN2KDM4E

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
EP-0436653-A4 SYNTHESIS OF CAMPTOTHECIN AND ANALOGS THEREOF — 1992-01-15 — — EP claimed
EP-0436653-A1 SYNTHESIS OF CAMPTOTHECIN AND ANALOGS THEREOF RESEARCH TRIANGLE INSTITUTE (US) 1991-07-17 — — EP claimed
US-4981968-A ENZYME INHIBITORS, ANTITUMOR RESEARCH TRIANGLE INSTITUTE (US) 1991-01-01 — — US claimed
WO-1990003169-A1 SYNTHESIS OF CAMPTOTHECIN AND ANALOGS THEREOF RESEARCH TRIANGLE INSTITUTE (US) 1990-04-05 — — WO claimed
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