SCHEMBL20116844

SCHEMBL20116844

CC(C)Nc1cc(-c2noc(N3CC4CN(C(=O)CC(C)(C)C)CC4C3)n2)ccc1C=N

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.35
LMNA P02545 3/20 0.35
S1PR1 P21453 3/20 0.35
S1PR4 O95977 2/20 0.35
S1PR5 Q9H228 2/20 0.35
ACACB O00763 1/20 0.34
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
HDAC4 P56524 2/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPK14 Q16539 1/20 0.31
S1PR3 Q99500 1/20 0.31

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
SCHEMBL20116803 0.88 MAPT (0.38) MAPTLMNAACACBRAB9AMEN1
SCHEMBL20676544 0.83 ACACB (0.35) MAPTLMNAACACBRAB9AMEN1
SCHEMBL20116686 0.81 MAPT (0.34) MAPTLMNAACACBRAB9AMEN1
SCHEMBL20117281 0.80 TBK1 (0.36) S1PR1S1PR4S1PR5RAB9ANPC1
SCHEMBL20117208 0.78 MAPT (0.40) MAPTLMNAMEN1KMT2ANPC1
SCHEMBL20117187 0.78 MAPT (0.44) MAPTLMNAMEN1KMT2ANPC1
SCHEMBL20116718 0.76 MAPT (0.40) MAPTLMNANPC1HTT
SCHEMBL20116656 0.76 S1PR1 (0.36) MAPTLMNAS1PR1S1PR4S1PR5
SCHEMBL20116481 0.76 S1PR1 (0.36) MAPTLMNAS1PR1S1PR4S1PR5
SCHEMBL20116683 0.76 USP30 (0.40) S1PR1

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