SCHEMBL29452006

SCHEMBL29452006

CC(C(=O)O)n1ncc(F)cc1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 4/20 0.38
KMT2A Q03164 1/20 0.34
KMO O15229 1/20 0.34
PRNP P04156 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
LMNA P02545 1/20 0.33
PTGS2 P35354 1/20 0.33
GFER P55789 1/20 0.32
AGBL2 Q5U5Z8 1/20 0.32
POLB P06746 1/20 0.32
USP5 P45974 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31

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
SCHEMBL4532201 0.81 ALDH1A1 (0.49) ALDH1A1KDM4EKMT2AKMOPRNP
SCHEMBL29451973 0.80 KDM4E (0.43) ALDH1A1KDM4EKMT2AHPGDRAB9A
SCHEMBL29452059 0.80 KDM4E (0.43) ALDH1A1KDM4EKMT2AHPGDRAB9A
SCHEMBL29452015 0.80 ALDH1A1 (0.44) ALDH1A1KDM4EKMT2AKMOHCAR2
SCHEMBL29452082 0.80 ALDH1A1 (0.44) ALDH1A1KDM4EKMT2AKMOHCAR2
SCHEMBL29452023 0.80 ALDH1A1 (0.44) ALDH1A1KDM4EKMT2AKMOHCAR2
SCHEMBL29451708 0.72 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2APRNPHPGD
SCHEMBL31306244 0.71 KDM4E (0.43) ALDH1A1KDM4EKMT2AKMOPRNP
SCHEMBL1155928 0.69 ALDH1A1 (0.59) ALDH1A1KDM4EKMT2APRNPHPGD
SCHEMBL29451403 0.68 KDM4E (0.42) ALDH1A1KDM4EKMT2AKMOPRNP

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-2022032144-A1 SUBSTRATE ADAPTOR INHIBITORS OF PRMT5 AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2022-02-10 WO disclosed