SCHEMBL21100326

SCHEMBL21100326

CN1CCC(C(=O)NCCCc2ccc(-c3cc(-c4ccc(C(=O)NCCCc5ccc(-c6ccccc6F)cc5)c5nccn45)ccc3F)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
TP53 P04637 1/20 0.39
WNT1 P04628 1/20 0.38
DYRK1A Q13627 1/20 0.38
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
ASAH1 Q13510 1/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 4/20 0.35
HSD17B10 Q99714 1/20 0.35
F10 P00742 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ABL1 P00519 1/20 0.34
CYP2D6 P10635 2/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL21100605 0.82 POLB (0.39) POLBLMNAKDM4ENPC1
SCHEMBL21045499 0.81 ALDH1A1 (0.48) POLBTP53MAPTHPGDTSHR
SCHEMBL29411602 0.81 ALDH1A1 (0.48) POLBTP53MAPTHPGDTSHR
SCHEMBL21100380 0.73 TP53 (0.48) POLBTP53LMNAKDM4EALDH1A1
SCHEMBL29411365 0.73 SMN1; SMN2 (0.47) MAPTHPGDTSHRASAH1HSD17B10
SCHEMBL21045194 0.73 SMN1; SMN2 (0.47) MAPTHPGDTSHRASAH1HSD17B10
SCHEMBL21100366 0.70 HTR3A (0.41) POLBTP53WNT1DYRK1AMAPT
SCHEMBL21045324 0.69 NAMPT (0.48) POLBTP53MAPTTSHRASAH1
SCHEMBL29411378 0.69 NAMPT (0.48) POLBTP53MAPTTSHRASAH1
SCHEMBL21045396 0.68 HIF1A (0.50) MAPTTSHRASAH1ALDH1A1MEN1

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-2019113242-A1 TUBULIN INHIBITORS Lin BioScience, LLC (US) 2019-06-13 WO disclosed