SCHEMBL21395062

SCHEMBL21395062

CN1N=C(NC(=O)c2ccc(Cc3cccc(C(F)F)c3)cn2)CCC1=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CBLB Q13191 6/20 0.37
PARP1 P09874 3/20 0.35
MAPK1 P28482 1/20 0.35
SNCA P37840 1/20 0.34
ELANE P08246 2/20 0.33
RAB9A P51151 1/20 0.33
RAF1 P04049 2/20 0.33
BRAF P15056 2/20 0.33
NTRK1 P04629 1/20 0.33
BACE1 P56817 2/20 0.32
GRM4 Q14833 1/20 0.32
BACE2 Q9Y5Z0 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
SCHEMBL21384460 0.88 SNCA (0.45) PARP1SNCA
SCHEMBL29353671 0.88 SNCA (0.45) PARP1SNCA
SCHEMBL29358562 0.87 LMNA (0.41) PARP1SNCARAB9ABACE1
SCHEMBL21384473 0.87 LMNA (0.41) PARP1SNCARAB9ABACE1
SCHEMBL22479655 0.85 PARP1 (0.40) PARP1RAB9A
SCHEMBL21384508 0.84 RAB9A (0.40) PARP1SNCARAB9ABACE1BACE2
SCHEMBL29359221 0.84 RAB9A (0.40) PARP1SNCARAB9ABACE1BACE2
SCHEMBL29356922 0.83 RAB9A (0.42) PARP1MAPK1ELANERAB9A
SCHEMBL21394584 0.83 RAB9A (0.42) PARP1MAPK1ELANERAB9A
SCHEMBL21394738 0.75 TSHR (0.45) RAB9ANTRK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed