SCHEMBL29452000

SCHEMBL29452000

CCOC(=O)Cn1ncc(F)cc1=O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.51
GAA P10253 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPK1 P28482 2/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 2/20 0.43
HPGD P15428 2/20 0.42
S1PR1 P21453 1/20 0.42

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
SCHEMBL29451564 0.82 TSHR (0.52) POLBGAASMN1; SMN2MEN1KMT2A
SCHEMBL29451417 0.79 KMO (0.44) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL29451550 0.77 KMT2A (0.51) POLBGAASMN1; SMN2MEN1KMT2A
SCHEMBL13172612 0.75 HTR2A (0.51) POLBGAASMN1; SMN2MEN1KMT2A
SCHEMBL27165381 0.75 BRD4 (0.55) POLBGAASMN1; SMN2MEN1KMT2A
SCHEMBL10815353 0.74 MEN1 (0.49) POLBGAASMN1; SMN2MEN1KMT2A
SCHEMBL29451973 0.72 KDM4E (0.43) POLBGAASMN1; SMN2MEN1KMT2A
SCHEMBL29452059 0.72 KDM4E (0.43) POLBGAASMN1; SMN2MEN1KMT2A
SCHEMBL9877800 0.72 SMN1; SMN2 (0.58) POLBGAASMN1; SMN2MEN1KMT2A
SCHEMBL20553301 0.71 SMN1; SMN2 (0.50) POLBSMN1; SMN2MEN1KMT2AALDH1A1

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