SCHEMBL8552608

SCHEMBL8552608

CCC(Oc1c(C)cc(-c2noc(C)n2)cc1C)C1(C)NC=CS1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
S1PR1 P21453 4/20 0.31
S1PR3 Q99500 4/20 0.31
MAPK14 Q16539 1/20 0.31
NR1I2 O75469 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL8552164 0.88 HDAC4 (0.32) L3MBTL1S1PR1NR1I2CYP3A4CYP2D6
SCHEMBL8555392 0.87 L3MBTL1 (0.35) L3MBTL1CA12CA1CA2CA9
SCHEMBL8552750 0.87 NR1I2 (0.46) NR1I2CYP3A4CYP2D6
SCHEMBL8551725 0.77
SCHEMBL8670644 0.76 L3MBTL1 (0.43) L3MBTL1CA12CA1CA2CA9
SCHEMBL8553617 0.75 HDAC4 (0.32) L3MBTL1S1PR1NR1I2CYP3A4CYP2D6
SCHEMBL8554365 0.74 NR1I2 (0.46) NR1I2CYP3A4CYP2D6
SCHEMBL16086028 0.63 CYP3A4 (0.46) L3MBTL1CA12CA1CA2CA9
SCHEMBL8666649 0.63 CYP3A4 (0.46) L3MBTL1CA12CA1CA2CA9
SCHEMBL18471229 0.63 L3MBTL1 (0.60) 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 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