SCHEMBL8553518

SCHEMBL8553518

Cc1noc(CCCOc2c(C)cc(-c3noc(C)n3)cc2C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
TDP1 Q9NUW8 5/20 0.42
L3MBTL1 Q9Y468 7/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 4/20 0.41
TSHR P16473 2/20 0.41
HTT P42858 1/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
SIRT2 Q8IXJ6 3/20 0.38
MAPK1 P28482 3/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
S1PR1 P21453 1/20 0.38
ATM Q13315 1/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL8670645 0.80 CYP3A4 (0.48) NR1I2CYP3A4CYP2D6TDP1L3MBTL1
SCHEMBL8555193 0.80 NR1I2 (0.41) NR1I2CYP3A4CYP2D6TDP1L3MBTL1
SCHEMBL9200266 0.80 NR1I2 (0.73) NR1I2CYP3A4CYP2D6TDP1L3MBTL1
SCHEMBL8912937 0.80 NR1I2 (0.47) NR1I2CYP3A4CYP2D6TDP1L3MBTL1
SCHEMBL9205929 0.80 NR1I2 (0.57) NR1I2CYP3A4CYP2D6TDP1L3MBTL1
SCHEMBL8666649 0.79 CYP3A4 (0.46) NR1I2CYP3A4CYP2D6TDP1L3MBTL1
SCHEMBL16086028 0.79 CYP3A4 (0.46) NR1I2CYP3A4CYP2D6TDP1L3MBTL1
SCHEMBL9087864 0.78 NR1I2 (0.47) NR1I2CYP3A4CYP2D6TDP1L3MBTL1
SCHEMBL8824422 0.78 NR1I2 (0.53) NR1I2CYP3A4CYP2D6TDP1L3MBTL1
SCHEMBL8552613 0.77 NR1I2 (0.47) NR1I2CYP3A4CYP2D6TDP1L3MBTL1

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-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
US-5552420-A TREATING PICORNAVIRAL INFECTIONS STERLING WINTHROP INC. (US) 1996-09-03 US disclosed