SCHEMBL20117209

SCHEMBL20117209

CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc4cnn(C5CSC5)c4c3)no2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.49
SMO Q99835 2/20 0.45
HDAC4 P56524 3/20 0.45
HDAC6 Q9UBN7 1/20 0.42
TUBB4A P04350 3/20 0.41
TUBB P07437 3/20 0.41
TUBA3C P0DPH7 3/20 0.41
TUBA1B P68363 3/20 0.41
TUBA4A P68366 3/20 0.41
TUBB4B P68371 3/20 0.41
TUBB3 Q13509 3/20 0.41
TUBB2A Q13885 3/20 0.41
TUBB8 Q3ZCM7 3/20 0.41
TUBA3E Q6PEY2 3/20 0.41
TUBA1A Q71U36 3/20 0.41
TUBA1C Q9BQE3 3/20 0.41
TUBB6 Q9BUF5 3/20 0.41
TUBB2B Q9BVA1 3/20 0.41
TUBB1 Q9H4B7 3/20 0.41
PIK3CA P42336 1/20 0.41

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
SCHEMBL22358247 0.93 GPR119 (0.54) GPR119SMOHDAC4HDAC6TUBB4A
SCHEMBL20116621 0.92 GPR119 (0.50) GPR119SMOHDAC4HDAC6TUBB4A
SCHEMBL20116323 0.92 GPR119 (0.52) GPR119SMOHDAC4HDAC6TUBB4A
SCHEMBL20116418 0.91 GPR119 (0.49) GPR119SMOHDAC4HDAC6TUBB4A
SCHEMBL22358260 0.91 GPR119 (0.49) GPR119SMOHDAC4HDAC6TUBB4A
SCHEMBL20676322 0.90 GPR119 (0.49) GPR119SMOHDAC4HDAC6TUBB4A
SCHEMBL20116966 0.90 GPR119 (0.49) GPR119SMOHDAC4HDAC6TUBB4A
SCHEMBL20116321 0.90 GPR119 (0.49) GPR119SMOHDAC4HDAC6TUBB4A
SCHEMBL20676227 0.89 GPR119 (0.48) GPR119SMOHDAC4HDAC6TUBB4A
SCHEMBL20116075 0.89 GPR119 (0.48) GPR119SMOHDAC4HDAC6TUBB4A

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