SCHEMBL28819626

SCHEMBL28819626

O=C(Cn1c(-c2ccc(C(F)(F)F)c(F)c2)nc2ccccc21)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 1/20 0.42
PTAFR P25105 1/20 0.40
MCHR1 Q99705 1/20 0.39
TSHR P16473 2/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
CYP2D6 P10635 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
HRH1 P35367 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
IDH1 O75874 1/20 0.38

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
SCHEMBL28819529 0.91 MCHR1 (0.47) KDM4EHSD17B10PTAFRMCHR1TSHR
SCHEMBL28819509 0.89 KDM4E (0.43) KDM4EHSD17B10PTAFRMCHR1TSHR
SCHEMBL28819694 0.87 KDM4E (0.43) KDM4EHSD17B10PTAFRMCHR1MAPT
SCHEMBL28819587 0.85 KDM4E (0.48) KDM4EHSD17B10PTAFRMCHR1TSHR
SCHEMBL28819547 0.85 KDM4E (0.47) KDM4EHSD17B10PTAFRMCHR1HTT
SCHEMBL28819667 0.85 KDM4E (0.47) KDM4EHSD17B10PTAFRMCHR1TSHR
SCHEMBL28819565 0.85 HSD17B10 (0.47) KDM4EHSD17B10PTAFRTSHRMAPT
SCHEMBL28819535 0.84 KDM4E (0.46) KDM4EHSD17B10PTAFRTSHRHTT
SCHEMBL27747028 0.84 KDM4E (0.46) KDM4EHSD17B10PTAFRTSHRHTT
SCHEMBL28819624 0.84 KDM4E (0.46) KDM4EHSD17B10PTAFRTSHRHTT

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