SCHEMBL20116702

SCHEMBL20116702

Cc1nn(C)c2cc(-c3noc(C4CCN(C(=O)CNC=O)CC4(F)F)n3)ccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 2/20 0.35
TBK1 Q9UHD2 1/20 0.35
KIT P10721 4/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34
TUBB6 Q9BUF5 1/20 0.34
TUBB2B Q9BVA1 1/20 0.34
TUBB1 Q9H4B7 1/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL20676707 1.00 SCD5 (0.35) SCD5TBK1KITTUBB4ATUBB
SCHEMBL20116696 0.92 SCD5 (0.36) SCD5TBK1KITTUBB4ATUBB
SCHEMBL20116667 0.89 SCD5 (0.37) SCD5TBK1KITLMNAALOX15
SCHEMBL20116356 0.89 SCD5 (0.36) SCD5TBK1KITTUBB4ATUBB
SCHEMBL20116447 0.88 LDHA (0.41) SCD5KITTUBB4ATUBBTUBA3C
SCHEMBL20676442 0.88 LDHA (0.41) SCD5KITTUBB4ATUBBTUBA3C
SCHEMBL20116482 0.88 LDHA (0.41) SCD5KITTUBB4ATUBBTUBA3C
SCHEMBL20116701 0.88 TUBB4A (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL20116777 0.87 MAPT (0.37) TBK1KITTUBB4ATUBBTUBA3C
SCHEMBL20116274 0.86 RAB9A (0.41) GRM5

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