SCHEMBL28819667

SCHEMBL28819667

O=C(Cn1c(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)nc2ccccc21)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 1/20 0.47
MCHR1 Q99705 1/20 0.46
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
CFTR P13569 1/20 0.42
PTAFR P25105 1/20 0.42
PIN1 Q13526 1/20 0.42
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
OPRK1 P41145 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL28819587 0.99 KDM4E (0.48) KDM4EHSD17B10MCHR1JAK2JAK1
SCHEMBL28819670 0.88 HSD17B10 (0.61) KDM4EHSD17B10PTAFRTSHRALDH1A1
SCHEMBL28948669 0.86 KDM4E (0.49) KDM4EHSD17B10PTAFRPIN1TSHR
SCHEMBL28819604 0.85 KDM4E (0.43) KDM4EHSD17B10PTAFRTSHRALDH1A1
SCHEMBL28819621 0.85 PTAFR (0.49) KDM4EHSD17B10MCHR1PTAFRTSHR
SCHEMBL28819626 0.85 KDM4E (0.42) KDM4EHSD17B10MCHR1PTAFRTSHR
SCHEMBL28819741 0.84 KDM4E (0.47) KDM4EHSD17B10PTAFRTSHRALDH1A1
SCHEMBL28819659 0.84 PIN1 (0.52) KDM4EHSD17B10MCHR1PIN1TSHR
SCHEMBL28819529 0.84 MCHR1 (0.47) KDM4EHSD17B10MCHR1PTAFRTSHR
SCHEMBL28819535 0.84 KDM4E (0.46) KDM4EHSD17B10PTAFRTSHRPOLB

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
CN-110404073-B Methods and pharmaceutical compositions for treating hepatitis B virus infection 国家医疗保健研究所 2022-08-16 CN disclosed