SCHEMBL21394655

SCHEMBL21394655

Cn1ccc(C(=O)Nc2ccc(Cc3cc(F)cc(C#N)c3)cn2)cc1=O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
EP300 Q09472 1/20 0.39
P2RX3 P56373 1/20 0.38
GCK P35557 1/20 0.38
DEGS1 O15121 1/20 0.37

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
SCHEMBL21394958 0.91 P2RX3 (0.42) P2RX3GCKDEGS1
SCHEMBL29358537 0.87 GCK (0.41) CYP3A4GCKDEGS1
SCHEMBL21395054 0.87 GCK (0.41) CYP3A4GCKDEGS1
SCHEMBL21394921 0.84 NPC1 (0.48) P2RX3
SCHEMBL21395179 0.83 GCK (0.42) CYP3A4SIRT2GCKDEGS1
SCHEMBL29357585 0.82 ALDH1A1 (0.41) SIRT2EP300
SCHEMBL21394628 0.82 ALDH1A1 (0.41) SIRT2EP300
SCHEMBL21394649 0.82 P2RX3 (0.45) P2RX3DEGS1
SCHEMBL21394875 0.81 EP300 (0.42) EP300
SCHEMBL29358580 0.81 EP300 (0.42) EP300

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