SCHEMBL29880964

SCHEMBL29880964

Cc1c(N2CCCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)ccc2oc(C(=O)N3CCOCC3)cc12

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.59
RAB9A P51151 2/20 0.48
TP53 P04637 1/20 0.48
LMNA P02545 4/20 0.47
KMT2A Q03164 3/20 0.43
PKM P14618 2/20 0.42
TSHR P16473 2/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.40
GLA P06280 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
P2RX7 Q99572 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
SCHEMBL1886278 1.00 NR1H4 (0.59) NR1H4RAB9ATP53LMNAKMT2A
SCHEMBL1888550 0.93 NR1H4 (0.48) NR1H4RAB9ATP53LMNAKMT2A
SCHEMBL1895452 0.89 NR1H4 (0.51) NR1H4RAB9ATP53LMNAKMT2A
SCHEMBL29880870 0.88 NR1H4 (0.75) NR1H4TP53LMNAKMT2APKM
SCHEMBL1889937 0.88 NR1H4 (0.75) NR1H4TP53LMNAKMT2APKM
SCHEMBL1886566 0.88 NR1H4 (0.53) NR1H4RAB9ATP53LMNAKMT2A
SCHEMBL29880865 0.88 NR1H4 (0.53) NR1H4RAB9ATP53LMNAKMT2A
SCHEMBL1894116 0.84 NR1H4 (0.80) NR1H4TP53LMNAKMT2APKM
SCHEMBL29880659 0.84 NR1H4 (0.80) NR1H4TP53LMNAKMT2APKM
SCHEMBL1886228 0.84 NR1H4 (0.58) NR1H4RAB9ATP53LMNAKMT2A

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