SCHEMBL8552618

SCHEMBL8552618

CCCc1nc(C)sc1Oc1c(C)cc(-c2noc(C)n2)cc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
S1PR1 P21453 6/20 0.35
S1PR3 Q99500 5/20 0.35
LMNA P02545 3/20 0.34
RAB9A P51151 3/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
NR1I2 O75469 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
HTT P42858 3/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL8555395 0.90 L3MBTL1 (0.36) L3MBTL1S1PR1S1PR3LMNARAB9A
SCHEMBL8552168 0.86 HDAC4 (0.37) S1PR1S1PR3RAB9ANR1I2CYP3A4
SCHEMBL8552757 0.86 NR1I2 (0.50) NR1I2CYP3A4CYP2D6
SCHEMBL8551731 0.77 SMN1; SMN2 (0.31) RAB9ANFKB1NFKB2RELANPC1
SCHEMBL8687267 0.77 L3MBTL1 (0.37) L3MBTL1S1PR1S1PR3LMNARAB9A
SCHEMBL8554371 0.76 NR1I2 (0.49) NR1I2CYP3A4CYP2D6
SCHEMBL8553627 0.76 HDAC4 (0.35) S1PR1S1PR3NR1I2CYP3A4CYP2D6
SCHEMBL9087864 0.68 NR1I2 (0.47) L3MBTL1S1PR1S1PR3LMNATSHR
SCHEMBL6982022 0.67 NR1I2 (0.47) L3MBTL1S1PR1S1PR3NR1I2CYP3A4
SCHEMBL6974407 0.67 NR1I2 (0.47) L3MBTL1S1PR1S1PR3NR1I2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5846986-A Therapeutic phenoxyalkylazoles and phenoxyalkylazines SANOFI (FR) 1998-12-08 US disclosed
US-5721261-A TREATING PICORNAVIRUS INFECTIONS SANOFI PHARMACEUTICALS, INC. (US) 1998-02-24 US disclosed