SCHEMBL20116751

SCHEMBL20116751

N=Cc1ccc(-c2noc(C3CCN(C(=O)c4ccccc4)CC3)n2)cc1NC1COC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
HTT P42858 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 2/20 0.49
HSD11B1 P28845 2/20 0.48
MGLL Q99685 1/20 0.47
TUBB4A P04350 3/20 0.45
TUBB P07437 3/20 0.45
TUBA3C P0DPH7 3/20 0.45
TUBA1B P68363 3/20 0.45
TUBA4A P68366 3/20 0.45
TUBB4B P68371 3/20 0.45
TUBB3 Q13509 3/20 0.45
TUBB2A Q13885 3/20 0.45
TUBB8 Q3ZCM7 3/20 0.45
TUBA3E Q6PEY2 3/20 0.45
TUBA1A Q71U36 3/20 0.45
TUBA1C Q9BQE3 3/20 0.45
TUBB6 Q9BUF5 3/20 0.45

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
SCHEMBL20116745 0.90 HSD11B1 (0.51) LMNASMN1; SMN2HTTNPSR1ALDH1A1
SCHEMBL20116843 0.88 LMNA (0.46) LMNASMN1; SMN2HTTNPSR1TUBB4A
SCHEMBL20676529 0.86 SMO (0.39) LMNAHTTTUBB4ATUBBTUBA3C
SCHEMBL20116823 0.86 SMN1; SMN2 (0.46) LMNASMN1; SMN2HTTALDH1A1TUBB4A
SCHEMBL20116723 0.85 LMNA (0.42) LMNATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL20676430 0.83 LMNA (0.41) LMNASMN1; SMN2HTTTUBB4ATUBB
SCHEMBL20117211 0.81 KIT (0.36) NR1H4
SCHEMBL20116790 0.80 HDAC4 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL20676467 0.78 SMO (0.43) LMNASMN1; SMN2HTTTUBB4ATUBB
SCHEMBL20676712 0.78 GRM5 (0.40)

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