SCHEMBL18153346

SCHEMBL18153346

Nc1cc(Nc2ccc(F)cc2)nc(N2CCN(C(=O)O)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 11/20 0.48
CDK2 P24941 11/20 0.48
MEN1 O00255 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.41
FPR2 P25090 1/20 0.41
SCN9A Q15858 1/20 0.41
GALR2 O43603 4/20 0.40
GALR1 P47211 2/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL18153299 0.86 CCNE1 (0.48) CCNE1CDK2MEN1BLMKMT2A
SCHEMBL18153413 0.84 PKM (0.50) CCNE1CDK2MEN1BLMKMT2A
SCHEMBL18162601 0.84 GALR2 (0.48) CCNE1CDK2GALR2GALR1
SCHEMBL23221453 0.81 BPTF (0.54) CCNE1CDK2MEN1BLMKMT2A
SCHEMBL18153404 0.80 CCNE1 (0.42) CCNE1CDK2MEN1BLMKMT2A
SCHEMBL23221469 0.79 GALR2 (0.42) CCNE1CDK2MEN1BLMKMT2A
SCHEMBL18153386 0.78 PKM (0.46) CCNE1CDK2MEN1BLMKMT2A
SCHEMBL18153280 0.77 SCN9A (0.43) SCN9A
SCHEMBL18153314 0.76 LMNA (0.66) CCNE1CDK2MEN1KMT2AMAPT
SCHEMBL18153366 0.74 MAPT (0.51) CCNE1CDK2MAPTGALR2GALR1

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