SCHEMBL21394800

SCHEMBL21394800

CN1N=C(C(=O)Nc2ccc(Cc3ccc(C#N)c(F)c3)cn2)CCC1=O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 4/20 0.42
RAB9A P51151 1/20 0.42
GPR52 Q9Y2T5 1/20 0.40
CACNA1H O95180 14/20 0.40

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
SCHEMBL29355353 0.93 RAB9A (0.42) EP300RAB9AGPR52CACNA1H
SCHEMBL21394562 0.93 RAB9A (0.42) EP300RAB9AGPR52CACNA1H
SCHEMBL21394588 0.89 RAB9A (0.42) RAB9A
SCHEMBL29357018 0.89 RAB9A (0.42) RAB9A
SCHEMBL21394549 0.87 RAB9A (0.44) RAB9AGPR52
SCHEMBL29354561 0.87 RAB9A (0.44) RAB9AGPR52
SCHEMBL29356974 0.87 RAB9A (0.46) RAB9AGPR52
SCHEMBL21384478 0.87 RAB9A (0.46) RAB9AGPR52
SCHEMBL21394752 0.85 RAB9A (0.41) EP300RAB9AGPR52
SCHEMBL29356890 0.85 RAB9A (0.41) EP300RAB9AGPR52

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