SCHEMBL20116723

SCHEMBL20116723

CC(C)(C)CC(=O)N1CCC(c2nc(-c3ccc(C=N)c(NC4COC4)c3)no2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
SMO Q99835 2/20 0.42
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 0.41
TUBB4B P68371 2/20 0.41
TUBB3 Q13509 2/20 0.41
TUBB2A Q13885 2/20 0.41
TUBB8 Q3ZCM7 2/20 0.41
TUBA3E Q6PEY2 2/20 0.41
TUBA1A Q71U36 2/20 0.41
TUBA1C Q9BQE3 2/20 0.41
TUBB6 Q9BUF5 2/20 0.41
TUBB2B Q9BVA1 2/20 0.41
TUBB1 Q9H4B7 2/20 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
SCHEMBL20676712 0.92 GRM5 (0.40)
SCHEMBL20676567 0.88 LMNA (0.44) LMNAALOX15TSHRMAPK1SMO
SCHEMBL20676430 0.88 LMNA (0.41) LMNAALOX15TSHRMAPK1SMO
SCHEMBL20117208 0.87 MAPT (0.40) LMNASMO
SCHEMBL20116823 0.85 SMN1; SMN2 (0.46) LMNATSHRSMOTUBB4ATUBB
SCHEMBL20116843 0.85 LMNA (0.46) LMNAALOX15TSHRMAPK1SMO
SCHEMBL20116751 0.85 LMNA (0.53) LMNAALOX15TSHRMAPK1SMO
SCHEMBL20676566 0.84 LMNA (0.47) LMNAALOX15TSHRMAPK1
SCHEMBL20676529 0.82 SMO (0.39) LMNAALOX15TSHRMAPK1SMO
SCHEMBL20116790 0.82 HDAC4 (0.43) SMOTUBB4ATUBBTUBA3CTUBA1B

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