SCHEMBL18153312

SCHEMBL18153312

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
MAPT P10636 3/20 0.49
CCNE1 P24864 4/20 0.45
CDK2 P24941 4/20 0.45
BPTF Q12830 1/20 0.45
GALR2 O43603 4/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GALR1 P47211 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 2/20 0.39
GBA1 P04062 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL18153314 0.86 LMNA (0.66) LMNAMAPTCCNE1CDK2BPTF
SCHEMBL18162512 0.86 ACHE (0.46) LMNAMAPTCCNE1CDK2BPTF
SCHEMBL3246394 0.85 MAPT (0.57) LMNAMAPTCCNE1CDK2GALR2
SCHEMBL18153366 0.84 MAPT (0.51) LMNAMAPTCCNE1CDK2BPTF
SCHEMBL18153311 0.82 MAPT (0.58) LMNAMAPTBPTFGALR2GALR1
SCHEMBL3240269 0.82 LMNA (0.52) LMNAMAPTCCNE1CDK2GALR2
SCHEMBL18162511 0.81 LMNA (0.53) LMNAMAPTCCNE1CDK2BPTF
SCHEMBL3242837 0.81 PKM (0.48) LMNAMAPTALDH1A1KDM4EHPGD
SCHEMBL3244303 0.80 LMNA (0.49) LMNAMAPTCCNE1CDK2GALR2
SCHEMBL8253256 0.80 LMNA (0.52) LMNAMAPTGALR2HSD17B10GALR1

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