SCHEMBL5319419

SCHEMBL5319419

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(O)cc1c2Cl

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.82
▸ KMT2A Q03164 4/20 0.82
▸ TOP1 P11387 18/20 0.73
▸ SMN1; SMN2 Q16637 3/20 0.72
▸ ALDH1A1 P00352 2/20 0.72
▸ CYP3A4 P08684 1/20 0.72
▸ CASP1 P29466 1/20 0.72
▸ CASP7 P55210 1/20 0.72
▸ HBB P68871 1/20 0.72
▸ KDM4E B2RXH2 1/20 0.72
▸ GLA P06280 1/20 0.65
▸ RECQL P46063 1/20 0.65
▸ TDP1 Q9NUW8 1/20 0.65

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
SCHEMBL4060789 0.91 MEN1 (0.82) MEN1KMT2ATOP1SMN1; SMN2ALDH1A1
SCHEMBL20471997 0.91 MEN1 (0.82) MEN1KMT2ATOP1SMN1; SMN2ALDH1A1
SCHEMBL26289731 0.91 MEN1 (0.87) MEN1KMT2ATOP1SMN1; SMN2ALDH1A1
7-Ethyl-10-Hydroxycamptothecin SCHEMBL29354078 0.90 MEN1 (1.00) MEN1KMT2ATOP1SMN1; SMN2ALDH1A1
7-Ethyl-10-Hydroxycamptothecin SCHEMBL34018 0.90 MEN1 (1.00) MEN1KMT2ATOP1SMN1; SMN2ALDH1A1
7-Ethyl-10-Hydroxycamptothecin SCHEMBL29359781 0.90 MEN1 (1.00) MEN1KMT2ATOP1SMN1; SMN2ALDH1A1
SCHEMBL2828545 0.90 MEN1 (0.81) MEN1KMT2ATOP1SMN1; SMN2ALDH1A1
7-Ethyl-10-Hydroxycamptothecin SCHEMBL13420265 0.90 MEN1 (1.00) MEN1KMT2ATOP1SMN1; SMN2ALDH1A1
SCHEMBL13529238 0.90 TOP1 (0.84) MEN1KMT2ATOP1SMN1; SMN2ALDH1A1
7-Ethyl-10-Hydroxycamptothecin SCHEMBL29787648 0.90 MEN1 (1.00) MEN1KMT2ATOP1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007095389-A2 TREATMENT OF HYPERPROLIFERATIVE DISEASES WITH CAMPTOTHECINE N-OXIDE AND ANALOGS NOVACEA, INC. (US) 2007-08-23 — — WO claimed
EP-0137145-B1 NEW CAMPTOTHECIN DERIVATIVES AND PROCESS FOR PREPARING SAME KABUSHIKI KAISHA YAKULT HONSHA (JP) 1988-04-27 — — EP disclosed
US-4604463-A ANTITUMOR AGENTS KABUSHIKI KAISHA YAKULT HONSHA (JP) 1986-08-05 — — US disclosed
EP-0137145-A1 New camptothecin derivatives and process for preparing same KABUSHIKI KAISHA YAKULT HONSHA (JP) 1985-04-17 — — EP disclosed
Send feedback