SCHEMBL22843988

SCHEMBL22843988

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2/C=N\OC

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 19/20 0.81
ALDH1A1 P00352 3/20 0.63
GLA P06280 3/20 0.63
KDM4E B2RXH2 2/20 0.63
TP53 P04637 2/20 0.63
HPGD P15428 2/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
STAT6 P42226 1/20 0.63
CHEK1 O14757 1/20 0.63
HDAC3 O15379 1/20 0.63
ABCC4 O15439 1/20 0.63
GMNN O75496 1/20 0.63
LMNA P02545 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
HNRNPA1 P09651 1/20 0.63
GAA P10253 1/20 0.63
ALOX15 P16050 1/20 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
SCHEMBL2028767 1.00 TOP1 (0.81) TOP1ALDH1A1GLAKDM4ETP53
SCHEMBL25130176 0.93 TOP1 (0.85) TOP1ALDH1A1GLAKDM4ETP53
SCHEMBL2028388 0.93 TOP1 (0.85) TOP1ALDH1A1GLAKDM4ETP53
SCHEMBL3185102 0.92 TOP1 (0.79) TOP1ALDH1A1GLAKDM4ETP53
Gimatecan SCHEMBL1649254 0.92 TOP1 (0.79) TOP1ALDH1A1GLAKDM4ETP53
Gimatecan SCHEMBL15341182 0.92 TOP1 (0.79) TOP1ALDH1A1GLAKDM4ETP53
Gimatecan SCHEMBL130586 0.92 TOP1 (0.79) TOP1ALDH1A1GLAKDM4ETP53
Gimatecan SCHEMBL24685122 0.92 TOP1 (0.79) TOP1ALDH1A1GLAKDM4ETP53
Gimatecan SCHEMBL29358288 0.92 TOP1 (0.79) TOP1ALDH1A1GLAKDM4ETP53
Gimatecan SCHEMBL27721325 0.92 TOP1 (0.79) TOP1ALDH1A1GLAKDM4ETP53

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-2020257998-A1 A CONJUGATE OF A CYTOTOXIC AGENT TO A CELL BINDING MOLECULE WITH BRANCHED LINKERS HANGZHOU DAC BIOTECH CO., LTD (CN) 2020-12-30 WO disclosed