SCHEMBL20116478

SCHEMBL20116478

COC(O)N1CCC2(CC1)CN(c1nc(-c3ccc4cnn(C(C)C)c4c3)no1)C2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.39
GAA P10253 1/20 0.39
THRB P10828 3/20 0.35
TP53 P04637 4/20 0.35
LMNA P02545 5/20 0.34
HTT P42858 2/20 0.34
NPC1 O15118 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PIK3CD O00329 1/20 0.33
PRDM9 Q9NQV7 1/20 0.33
PRDM7 Q9NQW5 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PTGER3 P43115 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
SCHEMBL20117195 0.85 CYP3A4 (0.46) MAPTGAATHRBTP53LMNA
SCHEMBL20116472 0.84 CYP2C9 (0.42) MAPTGAALMNAHTTNPC1
SCHEMBL20676639 0.83 MAPT (0.37) MAPTGAATHRBTP53LMNA
SCHEMBL20116732 0.81 SCD5 (0.43) MAPTLMNAHTTNPC1
SCHEMBL20117111 0.77 MAPT (0.35) MAPTGAATHRBTP53LMNA
SCHEMBL20116774 0.77 MAPT (0.37) MAPTGAATHRBTP53LMNA
SCHEMBL22358259 0.76 MAPT (0.51) MAPTGAATHRBTP53LMNA
SCHEMBL20116871 0.76 MAPT (0.41) MAPTGAATHRBTP53LMNA
SCHEMBL20676225 0.75 CCR6 (0.35) PIK3CDPTGER3
SCHEMBL20117142 0.75 MAPT (0.38) MAPTGAATHRBTP53LMNA

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