SCHEMBL18153404

SCHEMBL18153404

O=C(O)N1CCN(c2nc(Nc3ccc(F)cc3)cc(-c3cncs3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 7/20 0.42
CDK2 P24941 7/20 0.42
ABL1 P00519 2/20 0.37
BCR P11274 2/20 0.37
MEN1 O00255 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
DPP4 P27487 1/20 0.37
PIK3CA P42336 4/20 0.37
CD38 P28907 1/20 0.36
GRM5 P41594 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
GALR2 O43603 1/20 0.35
GALR1 P47211 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL18162602 0.87 GALR2 (0.43) CCNE1CDK2MEN1KMT2AGALR2
SCHEMBL18162581 0.86 MEN1 (0.40) CCNE1CDK2MEN1BLMKMT2A
SCHEMBL20042171 0.84 BPTF (0.46) CCNE1CDK2KMT2APIK3CACD38
Hydrochloric Acid SCHEMBL18153405 0.83 BPTF (0.45) CCNE1CDK2KMT2APIK3CACD38
SCHEMBL18162527 0.83 PKM (0.50) CCNE1CDK2ABL1BCRMEN1
SCHEMBL18153346 0.80 CCNE1 (0.48) CCNE1CDK2MEN1BLMKMT2A
SCHEMBL20042126 0.79 PKM (0.51) CCNE1CDK2MEN1KMT2AALDH1A1
SCHEMBL18153299 0.78 CCNE1 (0.48) CCNE1CDK2MEN1BLMKMT2A
SCHEMBL18162521 0.78 L3MBTL1 (0.44) CCNE1CDK2MEN1KMT2AALDH1A1
SCHEMBL18153413 0.77 PKM (0.50) CCNE1CDK2ABL1BCRMEN1

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