SCHEMBL20116355

SCHEMBL20116355

COc1ccnc(C(=O)NCC(O)N2CCC(c3nc(-c4ccc5c(C)nn(C)c5c4)no3)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 4/20 0.41
TUBB P07437 4/20 0.41
TUBA3C P0DPH7 4/20 0.41
TUBA1B P68363 4/20 0.41
TUBA4A P68366 4/20 0.41
TUBB4B P68371 4/20 0.41
TUBB3 Q13509 4/20 0.41
TUBB2A Q13885 4/20 0.41
TUBB8 Q3ZCM7 4/20 0.41
TUBA3E Q6PEY2 4/20 0.41
TUBA1A Q71U36 4/20 0.41
TUBA1C Q9BQE3 4/20 0.41
TUBB6 Q9BUF5 4/20 0.41
TUBB2B Q9BVA1 4/20 0.41
TUBB1 Q9H4B7 4/20 0.41
SCD5 Q86SK9 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMO Q99835 1/20 0.38

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
SCHEMBL20676221 0.91 SCD5 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL20116756 0.88 TUBB4A (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30506349 0.88 TUBB4A (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22259541 0.82 TUBB4A (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21611308 0.78 NR1H4 (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL20116349 0.78 TUBB4A (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30721015 0.78 TUBB4A (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22358420 0.77 TLR9 (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL20116360 0.76 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22358240 0.76 SMO (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO disclosed