SCHEMBL20116872

SCHEMBL20116872

Cc1noc(N2CCN(c3nc(-c4ccc(C=N)c(NC(C)C)c4)no3)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.40
GAA P10253 1/20 0.39
THRB P10828 1/20 0.38
LMNA P02545 3/20 0.37
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PIK3CA P42336 1/20 0.32
POLB P06746 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
SCHEMBL20116725 0.90 MAPT (0.39) MAPTGAATHRBLMNANPC1
SCHEMBL20117187 0.82 MAPT (0.44) MAPTGAATHRBLMNANPC1
SCHEMBL20676544 0.82 ACACB (0.35) MAPTGAATHRBLMNAMEN1
SCHEMBL20116686 0.81 MAPT (0.34) MAPTGAATHRBLMNAMEN1
SCHEMBL20116718 0.81 MAPT (0.40) MAPTGAATHRBLMNANPC1
SCHEMBL20116803 0.78 MAPT (0.38) MAPTLMNANPC1HTTTP53
SCHEMBL20676516 0.76 SMN1; SMN2 (0.38) MAPTGAALMNANPC1HTT
SCHEMBL20116721 0.75 SMO (0.40) MAPTGAATHRBLMNATP53
SCHEMBL20116798 0.75 KIT (0.42) MAPTGAALMNANPC1HTT
SCHEMBL20116844 0.74 MAPT (0.35) MAPTLMNANPC1HTTMEN1

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-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO disclosed