SCHEMBL20116269

SCHEMBL20116269

CNc1cccc(N2C[C@H](C(=O)N3CCC(c4nc(-c5ccc6cnn(C7COC7)c6c5)no4)CC3)CC2=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 16/20 0.42
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42
TUBA4A P68366 2/20 0.42
TUBB4B P68371 2/20 0.42
TUBB3 Q13509 2/20 0.42
TUBB2A Q13885 2/20 0.42
TUBB8 Q3ZCM7 2/20 0.42
TUBA3E Q6PEY2 2/20 0.42
TUBA1A Q71U36 2/20 0.42
TUBA1C Q9BQE3 2/20 0.42
TUBB6 Q9BUF5 2/20 0.42
TUBB2B Q9BVA1 2/20 0.42
TUBB1 Q9H4B7 2/20 0.42
SMO Q99835 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL20676643 0.92 GRM5 (0.50) GRM5
SCHEMBL20116709 0.88 GRM5 (0.42) GRM5SMOSMN1; SMN2
SCHEMBL20116719 0.88 GRM5 (0.42) GRM5SMOSMN1; SMN2
SCHEMBL20676644 0.88 GRM5 (0.42) GRM5SMOSMN1; SMN2
SCHEMBL20674689 0.81 SMN1; SMN2 (0.53) GRM5LMNAHTTSMN1; SMN2
SCHEMBL22357778 0.79 GRM5 (0.48) GRM5SMOSMN1; SMN2
SCHEMBL20116267 0.79 GRM5 (0.39) GRM5SMOLMNAMAPTHTT
SCHEMBL20116359 0.78 GRM5 (0.42) GRM5LMNASMN1; SMN2
SCHEMBL20676702 0.78 GRM5 (0.42) GRM5LMNASMN1; SMN2
SCHEMBL20116351 0.78 GRM5 (0.42) GRM5LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO disclosed