SCHEMBL29452234

SCHEMBL29452234

O=C(O)Cn1ncc(F)c(C2CC2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ MITF O75030 5/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ KMO O15229 1/20 0.35
▸ TP53 P04637 2/20 0.35
▸ MAPT P10636 5/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ S1PR4 O95977 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ HTT P42858 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ MDM2 Q00987 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ TDP1 Q9NUW8 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
SCHEMBL29451935 0.83 KMT2A (0.46) KDM4EHSD17B10ALDH1A1SMN1; SMN2HTT
SCHEMBL29451810 0.82 MITF (0.47) KDM4EHSD17B10HPGDMITFRAB9A
SCHEMBL29451678 0.74 HTT (0.49) KDM4EHSD17B10HPGDMITFRAB9A
SCHEMBL29451928 0.74 KDM4E (0.45) KDM4EHSD17B10HPGDMITFRAB9A
SCHEMBL29452287 0.66 MEN1 (0.46) HPGDMITFRAB9ANPC1MAPT
SCHEMBL2888709 0.64 NPC1 (0.75) KDM4EHSD17B10HPGDMITFRAB9A
SCHEMBL29451417 0.64 KMO (0.44) KDM4EHSD17B10HPGDKMOMAPT
SCHEMBL2888078 0.64 HTT (0.69) HPGDMITFRAB9ANPC1TP53
SCHEMBL10814794 0.64 HTT (0.48) MITFRAB9ANPC1TP53MAPT
SCHEMBL31648588 0.63 GRIN1 (0.45) KDM4EHSD17B10HPGDEPHX2MAPT

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
Send feedback