SCHEMBL8875166

SCHEMBL8875166

Cn1c(CO)nc2c(O)c3c(=O)n(C)c(CO)nc3c(O)c2c1=O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CNR2 P34972 2/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL8875566 0.77 CDK1 (0.41)
SCHEMBL9600337 0.71
SCHEMBL612105 0.66 ALDH1A1 (0.34) KDM4EKMT2AALDH1A1HPGD
SCHEMBL7904142 0.66 CDK1 (0.34) KDM4EMEN1KMT2AALDH1A1
SCHEMBL13339952 0.64 KDM4E (0.33) KDM4EALDH1A1
Hydrochloric Acid SCHEMBL3421090 0.64 KDM4E (0.33) KDM4EALDH1A1
Pbt-434 SCHEMBL7905166 0.64 TLR7 (0.39) MEN1KMT2A
SCHEMBL17088213 0.63 HDAC6 (0.68) KDM4EKMT2AALDH1A1
SCHEMBL31085126 0.60 MEN1 (0.32) MEN1KMT2A
SCHEMBL10138649 0.59 DHODH (0.32) KDM4E

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
US-5639881-A ANTITUMOR AGENTS, TREATMENT OF BREAST CANCER ARIZONA BOARD OF REGENTS ACTING ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 1997-06-17 US disclosed