SCHEMBL29324423

SCHEMBL29324423

CCOC(=O)c1cn(CCNC)c2cc3c(cc2c1=O)OC(F)(F)O3

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.47
HPGD P15428 4/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 3/20 0.45
POLB P06746 2/20 0.43
MAPT P10636 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
APEX1 P27695 1/20 0.40
P2RX3 P56373 1/20 0.39
RXFP1 Q9HBX9 6/20 0.38
BLM P54132 1/20 0.38
TP53 P04637 4/20 0.38

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
SCHEMBL29324454 0.77 KMT2A (0.41) KMT2ALMNAHPGDKDM4EALDH1A1
SCHEMBL29324427 0.74 ALDH1A1 (0.47) KMT2ALMNAHPGDKDM4EALDH1A1
SCHEMBL29324341 0.72 KDM4E (0.50) KMT2ALMNAHPGDKDM4EALDH1A1
SCHEMBL10612962 0.72 HPGD (0.74) KMT2ALMNAHPGDKDM4EALDH1A1
SCHEMBL15282130 0.72 KMT2A (0.73) KMT2ALMNAHPGDKDM4EALDH1A1
SCHEMBL9382762 0.72 KMT2A (0.73) KMT2ALMNAHPGDKDM4EALDH1A1
SCHEMBL29324417 0.70 GABRA1 (0.58) KMT2AHPGDKDM4EALDH1A1HSD17B10
SCHEMBL7128071 0.69 KMT2A (0.76) KMT2ALMNAHPGDKDM4EALDH1A1
SCHEMBL11081172 0.68 KDM4E (0.52) LMNAHPGDKDM4EALDH1A1HSD17B10
SCHEMBL4141591 0.68 LMNA (0.61) KMT2ALMNAHPGDKDM4EALDH1A1

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-2024151425-A1 COMPOUNDS AND METHOD FOR TREATING HIV INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-07-18 WO disclosed