SCHEMBL28614010

SCHEMBL28614010

COc1cc(-c2cc(N)n(C(C)(C)C)n2)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 1/20 0.50
POLB P06746 2/20 0.49
KDM4E B2RXH2 2/20 0.43
TSHR P16473 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
PIK3CD O00329 2/20 0.41
ABL1 P00519 2/20 0.41
EGFR P00533 2/20 0.41
HCK P08631 2/20 0.41
SRC P12931 2/20 0.41
KDR P35968 2/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
MTOR P42345 2/20 0.41

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
SCHEMBL28233679 0.81 MAPT (0.56) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL4494474 0.77 ALDH1A1 (0.52) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL28624707 0.75 RIPK2 (0.46) MAPTMEN1KMT2APOLBKDM4E
Hydrochloric Acid SCHEMBL9123032 0.72 CA1 (0.51) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL8310316 0.72 ADORA2A (0.51) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL4714412 0.72 SMN1; SMN2 (0.54) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL8355956 0.72 RIPK2 (0.71) SRCKDRRIPK2
SCHEMBL28624694 0.72 SRC (0.48) PIK3CDABL1EGFRHCKSRC
SCHEMBL28234723 0.71 TLR8 (0.55) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL28233689 0.71 LMNA (0.57) MAPTMEN1KMT2ALMNAPOLB

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
CN-108409663-B Microtubule inhibitors, methods of preparation and uses thereof 成都威斯克生物医药有限公司 2021-09-03 CN disclosed