SCHEMBL8665484

SCHEMBL8665484

CCCCc1c(Oc2c(C)cc(-c3nnn(C)n3)cc2C)c2cccnc2n1O

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NPC1 O15118 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8665037 0.77 TYK2 (0.33)
SCHEMBL8557115 0.68 AGTR1 (0.32)
SCHEMBL8922263 0.68 NR1I2 (0.33) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL8992126 0.67 NPC1 (0.32) ALDH1A1NPC1NFKB1RAB9ANFKB2
SCHEMBL8665033 0.67 KDM4E (0.30) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL8992121 0.66 BRD4 (0.37) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL8824405 0.66 NPC1 (0.34) MAPTNPSR1NPC1NFKB1RAB9A
SCHEMBL8668170 0.66 NPC1 (0.31) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8553053 0.65 TSHR (0.36) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL8824414 0.64 NR1I2 (0.39) MAPTNPSR1NPC1NFKB1RAB9A

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
US-5763461-A ANTIPICORNAVIRAL AGENTS SANOFI (FR) 1998-06-09 US disclosed