SCHEMBL17954342

SCHEMBL17954342

CCCCCNC(=O)Cc1ccc2ccccc2c1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
MTNR1A P48039 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL18165314 0.96 HPGD (0.60) HPGDCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL20216028 0.82 LMNA (0.45) HPGDCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL20216000 0.81 LMNA (0.45) HPGDCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16627089 0.81 MTNR1A (0.45) HPGDCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL31047588 0.81 CA12 (0.67) HPGDCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10717943 0.81 CA12 (0.67) HPGDCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL9059823 0.81 CA12 (0.67) HPGDCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL31047581 0.81 CA12 (0.67) HPGDCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL20216010 0.81 LMNA (0.48) HPGDCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL17954336 0.80 HPGD (0.44) HPGDCYP1A2CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3722277-A2 3'END CAPS FOR RNA-INTERFERRING AGENTS FOR USE IN RNA Novartis AG (CH) 2020-10-14 EP disclosed
US-9988627-B2 Formats for organic compounds for use in RNA interference NOVARTIS AG (CH) 2018-06-05 US disclosed
US-20160244756-A1 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-08-25 US disclosed
US-20160215288-A1 ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-07-28 US disclosed