SCHEMBL20116686

SCHEMBL20116686

CC(C)Nc1cc(-c2noc(N3CC4CNCC4C3)n2)ccc1C=N

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.34
LMNA P02545 1/20 0.34
ACACB O00763 1/20 0.33
GAA P10253 1/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PIK3CA P42336 1/20 0.31
POLB P06746 1/20 0.31
THRB P10828 1/20 0.31
SYK P43405 1/20 0.30

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
SCHEMBL20676544 0.87 ACACB (0.35) MAPTLMNAACACBGAARAB9A
SCHEMBL20116803 0.84 MAPT (0.38) MAPTLMNAACACBRAB9AMEN1
SCHEMBL20116872 0.81 MAPT (0.40) MAPTLMNAGAAMEN1KMT2A
SCHEMBL20116844 0.81 MAPT (0.35) MAPTLMNAACACBRAB9AMEN1
SCHEMBL20116725 0.80 MAPT (0.39) MAPTLMNAGAAMEN1KMT2A
SCHEMBL20117187 0.74 MAPT (0.44) MAPTLMNAGAAMEN1KMT2A
SCHEMBL20116682 0.74 NPC1 (0.53) LMNAGAARAB9AMEN1KMT2A
SCHEMBL20116718 0.73 MAPT (0.40) MAPTLMNAGAAPOLBTHRB
SCHEMBL22358295 0.71 PIK3CD (0.38) MAPTLMNAACACBGAATHRB
SCHEMBL20116766 0.71 NPC1 (0.42) GAARAB9A

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