SCHEMBL20116948

SCHEMBL20116948

CCOc1cnc(C)nc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.37
AOC3 Q16853 2/20 0.36
KDM4E B2RXH2 5/20 0.36
HSD17B10 Q99714 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
P2RX3 P56373 1/20 0.35
P2RX2 Q9UBL9 1/20 0.35
HPGD P15428 2/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
GAA P10253 1/20 0.33
DHFR P00374 1/20 0.33
PDE10A Q9Y233 1/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL10304905 0.84 KMT2A (0.52) KMT2ALMNAKDM4ESMN1; SMN2P2RX3
SCHEMBL27035942 0.79 NUDT1 (0.49) KMT2AP2RX3P2RX2MAPTDHFR
SCHEMBL30729970 0.79 NUDT1 (0.49) KMT2AP2RX3P2RX2MAPTDHFR
SCHEMBL26997263 0.77 POLB (0.36) KMT2ALMNAAOC3KDM4EHSD17B10
SCHEMBL26647089 0.74 LMNA (0.50) KMT2ALMNAAOC3KDM4EHSD17B10
SCHEMBL13832839 0.74 AOC3 (0.37) KMT2ALMNAAOC3KDM4EHSD17B10
SCHEMBL20116553 0.73 KDM4E (0.51) LMNAKDM4EHSD17B10SMN1; SMN2NPC1
SCHEMBL907644 0.73 TNFSF11 (0.40) KMT2AKDM4ESMN1; SMN2POLBHPGD
SCHEMBL9918974 0.73 LMNA (0.38) KMT2ALMNASMN1; SMN2POLBALDH1A1
SCHEMBL10216223 0.72 P2RX3 (0.42) LMNAPOLBP2RX3P2RX2GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO disclosed