SCHEMBL3804802

SCHEMBL3804802

CCCCC(O)(Cc1nc[nH]n1)c1ccc(Cl)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.37
ALDH1A1 P00352 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 2/20 0.33
MAPK1 P28482 3/20 0.33
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 3/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
CNR1 P21554 3/20 0.31
CNR2 P34972 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CASR P41180 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL9146314 1.00 TDP1 (0.37) TDP1ALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL10925949 0.87 TDP1 (0.40) TDP1L3MBTL1MAPTMAPK1TSHR
SCHEMBL9663631 0.86 TDP1 (0.35) TDP1MAPTMAPK1TSHRCYP3A4
SCHEMBL9662442 0.84 TDP1 (0.37) TDP1L3MBTL1MAPTMAPK1TSHR
SCHEMBL10705611 0.83 TDP1 (0.36) TDP1L3MBTL1MAPK1TSHRCYP3A4
SCHEMBL15757200 0.82 CHEK2 (0.31)
SCHEMBL11123260 0.79 TDP1 (0.35) TDP1ALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL11120058 0.79 TDP1 (0.33) TDP1ALDH1A1MAPK1TSHRCYP3A4
SCHEMBL11112786 0.78 HPGD (0.35) TDP1MAPTMAPK1TSHRCYP3A4
SCHEMBL9661619 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178810-A1 GRANULE COATED WITH URETHANE RESIN Sumitomo Chemical Company, Limited (JP) 2010-04-28 EP disclosed
EP-2178811-A1 GRANULE COATED WITH URETHANE RESIN Sumitomo Chemical Company, Limited (JP) 2010-04-28 EP disclosed
WO-2009022431-A1 GRANULE COATED WITH URETHANE RESIN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-19 WO disclosed
WO-2009022432-A1 GRANULE COATED WITH URETHANE RESIN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-19 WO disclosed
WO-1990000169-A1 AMINO KETALS, THEIR PREPARATION, AND THEIR USE AS FUNGICIDES CHEMINOVA AGRO A/S (DK) 1990-01-11 WO disclosed
EP-0235714-A1 Process for the preparation of compounds with a double carbon to carbon bond by dehydration of the corresponding alcohol IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-09-09 EP disclosed