SCHEMBL18153314

SCHEMBL18153314

Cc1ccc(Nc2cc(C)nc(N3CCN(C(=O)O)CC3)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.66
MAPT P10636 2/20 0.66
CCNE1 P24864 6/20 0.58
CDK2 P24941 6/20 0.58
ALDH1A1 P00352 2/20 0.53
HSD17B10 Q99714 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
TP53 P04637 1/20 0.53
MAPK1 P28482 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
GBA1 P04062 2/20 0.49
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
BPTF Q12830 1/20 0.48
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL18153366 0.88 MAPT (0.51) LMNAMAPTCCNE1CDK2ALDH1A1
SCHEMBL18153312 0.86 LMNA (0.49) LMNAMAPTCCNE1CDK2ALDH1A1
SCHEMBL18153311 0.86 MAPT (0.58) LMNAMAPTGBA1BPTF
SCHEMBL18063521 0.84 MAPT (0.58) LMNAMAPTCCNE1CDK2ALDH1A1
SCHEMBL24784367 0.83 LMNA (0.54) LMNAMAPTCCNE1CDK2ALDH1A1
SCHEMBL18063516 0.80 LMNA (0.72) LMNAMAPTCCNE1CDK2ALDH1A1
SCHEMBL21744951 0.79 RET (0.60)
SCHEMBL18087188 0.79 LMNA (0.63) LMNAMAPTCCNE1CDK2ALDH1A1
SCHEMBL18087196 0.78 LMNA (0.60) LMNAMAPTCCNE1CDK2ALDH1A1
SCHEMBL21015067 0.78 LMNA (0.66) LMNAMAPTCCNE1CDK2ALDH1A1

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
EP-3283472-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS Indiana University Research&Technology Corporation (US) 2018-02-21 EP disclosed
WO-2016168619-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-10-20 WO disclosed