SCHEMBL16273629

SCHEMBL16273629

CCc1cc(O)ccc1OCc1ccccc1N=C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
ELANE P08246 4/20 0.36
F2 P00734 1/20 0.36
CTSG P08311 1/20 0.35
CYP3A4 P08684 2/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
ATM Q13315 1/20 0.35
PLEC Q15149 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 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
SCHEMBL16273619 0.87 FFAR4 (0.41) CYP3A4RECQL
SCHEMBL17616646 0.87 L3MBTL1 (0.45) GABRA1GABRB2CYP3A4L3MBTL1KMT2A
SCHEMBL16273633 0.84 MRGPRX4 (0.46) MAPTGAATHRBHPGD
SCHEMBL16273623 0.84 ALDH1A1 (0.38) KMT2AMAPTALDH1A1MEN1HPGD
SCHEMBL16273611 0.81 SLC6A4 (0.39)
SCHEMBL19987554 0.79 MRGPRX4 (0.41) GABRA1GABRB2MAPT
SCHEMBL16273632 0.78 CYP3A4 (0.37) GABRA1GABRB2CYP3A4MAPTALDH1A1
SCHEMBL17616618 0.78 CYP3A4 (0.42) GABRA1GABRB2CYP3A4MAPTALDH1A1
SCHEMBL19987598 0.77 CDK4 (0.48) ELANEF2L3MBTL1KMT2AMAPT
SCHEMBL17616643 0.77 L3MBTL1 (0.43) CYP3A4L3MBTL1KMT2AMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9675072-B2 Tetrazolinone compound and application of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-06-13 US disclosed
EP-3029030-A1 TETRAZOLINONE COMPOUND, AND USE THEREFOR Sumitomo Chemical Company, Limited (JP) 2016-06-08 EP disclosed
EP-3006440-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME Sumitomo Chemical Company Limited (JP) 2016-04-13 EP disclosed
WO-2015016373-A1 TETRAZOLINONE COMPOUND, AND USE THEREFOR 住友化学株式会社 (JP) 2015-02-05 WO disclosed
WO-2014192953-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME 住友化学株式会社 (JP) 2014-12-04 WO disclosed