SCHEMBL21394725

SCHEMBL21394725

COc1ccc(Cn2c(C)cc(=O)n2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALOX15 P16050 1/20 0.51
CMA1 P23946 1/20 0.51
GSK3A P49840 2/20 0.49
GSK3B P49841 2/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RGS4 P49798 1/20 0.44
IDH1 O75874 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
PDE1A P54750 2/20 0.43
PDE1B Q01064 2/20 0.43
PDE1C Q14123 2/20 0.43
SIGMAR1 Q99720 1/20 0.42
P2RX4 Q99571 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
SCHEMBL3529533 0.80 NAPRT (0.51) MAPTALDH1A1KDM4ECMA1GSK3A
SCHEMBL4769071 0.75 ALDH1A1 (0.60) MAPTALDH1A1KDM4EALOX15CMA1
SCHEMBL17264296 0.73 CMA1 (0.49) MAPTALDH1A1KDM4EALOX15CMA1
SCHEMBL4326119 0.72 NAPRT (0.64) MAPTALDH1A1GSK3AGSK3BMEN1
SCHEMBL31560451 0.70 MAPT (0.72) MAPTALDH1A1KDM4EALOX15CMA1
SCHEMBL29264845 0.70 MAPT (0.67) MAPTALDH1A1KDM4EALOX15CMA1
SCHEMBL4376098 0.70 ALDH1A1 (0.57) MAPTALDH1A1KDM4EALOX15CMA1
SCHEMBL4762572 0.69 ALDH1A1 (0.63) MAPTALDH1A1KDM4EALOX15CMA1
SCHEMBL18717737 0.69 GSK3A (0.53) MAPTALDH1A1KDM4EALOX15CMA1
SCHEMBL31370912 0.69 P2RX4 (0.59) MAPTALDH1A1KDM4ECMA1GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed