SCHEMBL25845670

SCHEMBL25845670

CC(C)NCCc1c2c(nc3ccccc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@@]3(C)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 18/20 0.64
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 3/20 0.49
GLA P06280 3/20 0.49
KDM4E B2RXH2 2/20 0.49
TP53 P04637 2/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
STAT6 P42226 1/20 0.49
CHEK1 O14757 1/20 0.49
HDAC3 O15379 1/20 0.49
ABCC4 O15439 1/20 0.49
GMNN O75496 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
HNRNPA1 P09651 1/20 0.49
GAA P10253 1/20 0.49
ALOX15 P16050 1/20 0.49

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
Belotecan SCHEMBL21410040 0.91 TOP1 (0.79) TOP1MEN1KMT2AALDH1A1GLA
Belotecan SCHEMBL29378860 0.91 TOP1 (0.79) TOP1MEN1KMT2AALDH1A1GLA
Belotecan SCHEMBL18983 0.91 TOP1 (0.79) TOP1MEN1KMT2AALDH1A1GLA
Belotecan SCHEMBL31499426 0.90 TOP1 (0.78) TOP1MEN1KMT2AALDH1A1GLA
Belotecan SCHEMBL7869454 0.90 TOP1 (0.78) TOP1MEN1KMT2AALDH1A1GLA
Belotecan SCHEMBL1651143 0.89 TOP1 (0.76) TOP1MEN1KMT2AALDH1A1GLA
SCHEMBL26525780 0.88 TOP1 (0.64) TOP1
SCHEMBL15080865 0.87 TOP1 (0.70) TOP1MEN1KMT2AALDH1A1GLA
SCHEMBL26028087 0.86 TOP1 (0.61) TOP1MEN1KMT2AALDH1A1GLA
SCHEMBL30531945 0.86 TOP1 (0.60) TOP1MEN1KMT2AALDH1A1GLA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023137026-A1 CAMPTOTHECIN ANALOGS CONJUGATED TO A GLUTAMINE RESIDUE IN A PROTEIN, AND THEIR USE REGENERON PHARMACEUTICALS, INC. (US) 2023-07-20 WO disclosed