SCHEMBL31056819

SCHEMBL31056819

[N-]=[N+]=Nc1cc(OCc2ccccc2)c(C2OCCO2)cc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.40
MCL1 Q07820 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGER1 P34995 4/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CTSV O60911 2/20 0.35
CTSL P07711 2/20 0.35
SGMS2 Q8NHU3 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
PPIA P62937 1/20 0.35
SLC16A3 O15427 1/20 0.34

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
SCHEMBL31056825 0.80 MCL1 (0.47) FOLH1MCL1ALDH1A1KDM4EPOLB
SCHEMBL31056217 0.80 FOLH1 (0.48) FOLH1MCL1ALDH1A1KDM4EPOLB
SCHEMBL31056045 0.80 PTGER1 (0.50) FOLH1MCL1ALDH1A1KDM4EPOLB
SCHEMBL31056459 0.80 FOLH1 (0.45) FOLH1MCL1ALDH1A1KDM4EPOLB
SCHEMBL31056150 0.78 KDM4E (0.46) FOLH1MCL1ALDH1A1KDM4EPOLB
SCHEMBL31056247 0.77 FOLH1 (0.43) FOLH1MCL1ALDH1A1KDM4EPOLB
SCHEMBL31056250 0.75 PTGER1 (0.48) POLBPTGER1MEN1KMT2A
Lithium Ion SCHEMBL31056412 0.73 RXRA (0.42) MCL1ALDH1A1L3MBTL1PTGER1MEN1
SCHEMBL31056151 0.73 P4HTM (0.48) FOLH1MCL1KDM4EPTGER1MEN1
SCHEMBL31055978 0.72 CTSV (0.41) FOLH1MCL1POLBL3MBTL1MEN1

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-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed