SCHEMBL8670644

SCHEMBL8670644

CCC(I)Oc1c(C)cc(-c2noc(C)n2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
NR1I2 O75469 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
S1PR1 P21453 10/20 0.34
S1PR3 Q99500 5/20 0.34
PLK1 P53350 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
MAPK14 Q16539 2/20 0.34

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
SCHEMBL8552608 0.76 L3MBTL1 (0.35) L3MBTL1NR1I2CYP3A4CYP2D6CA12
SCHEMBL8555392 0.74 L3MBTL1 (0.35) L3MBTL1NR1I2CYP3A4CYP2D6CA12
SCHEMBL8670645 0.73 CYP3A4 (0.48) L3MBTL1NR1I2CYP3A4CYP2D6CA12
SCHEMBL8666649 0.71 CYP3A4 (0.46) L3MBTL1NR1I2CYP3A4CYP2D6CA12
SCHEMBL16086028 0.71 CYP3A4 (0.46) L3MBTL1NR1I2CYP3A4CYP2D6CA12
SCHEMBL18471229 0.71 L3MBTL1 (0.60) L3MBTL1CA12CA1CA2CA9
SCHEMBL18518446 0.69 L3MBTL1 (0.56) L3MBTL1CYP3A4CA12CA1CA2
SCHEMBL8663061 0.69 L3MBTL1 (0.56) L3MBTL1CA12CA1CA2CA9
SCHEMBL8554106 0.69 L3MBTL1 (0.56) L3MBTL1CA12CA1CA2CA9
SCHEMBL15261955 0.69 L3MBTL1 (0.56) L3MBTL1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763461-A ANTIPICORNAVIRAL AGENTS SANOFI (FR) 1998-06-09 US disclosed
US-5618821-A VIRICIDES, PICORNAVIRUS SANOFI, S.A. (FR) 1997-04-08 US disclosed
WO-1995031438-A1 THERAPEUTIC PHENOXYALKYLHETEROCYCLES SANOFI WINTHROP, INC. (US) 1995-11-23 WO disclosed