SCHEMBL10596221

SCHEMBL10596221

Nc1cccc2c1-c1c(N)cccc1C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
CYP3A4 P08684 6/20 0.43
TSHR P16473 5/20 0.43
HPGD P15428 4/20 0.43
HSD17B10 Q99714 4/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALOX15 P16050 2/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
USP2 O75604 1/20 0.43
HPN P05981 1/20 0.43
ALOX5 P09917 1/20 0.43
THRB P10828 1/20 0.43
PTGS1 P23219 1/20 0.43
PDE4A P27815 1/20 0.43
KDR P35968 1/20 0.43

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
SCHEMBL29490146 0.84 ALDH1A1 (0.48) ALDH1A1CYP3A4HPGDHSD17B10MAPT
SCHEMBL2048985 0.84 ALDH1A1 (0.48) ALDH1A1CYP3A4HPGDHSD17B10MAPT
SCHEMBL21709330 0.82 ALDH1A1 (0.52) ALDH1A1CYP3A4HPGDHSD17B10MAPT
SCHEMBL30297184 0.82 ALDH1A1 (0.47) ALDH1A1CYP3A4HPGDHSD17B10MAPT
Hydrochloric Acid SCHEMBL2860818 0.82 HTR2B (0.49) ALDH1A1CYP3A4TSHRHPGDHSD17B10
Biphenyl SCHEMBL21611806 0.82 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10MAPTKDM4E
SCHEMBL5399227 0.78 TSHR (0.52) ALDH1A1CYP3A4TSHRHPGDHSD17B10
SCHEMBL3169139 0.77 MAPT (0.61) ALDH1A1CYP3A4HPGDHSD17B10MAPT
SCHEMBL10782961 0.77 MAOA (0.61) ALDH1A1CYP3A4TSHRHPGDHSD17B10
SCHEMBL9231662 0.77 CD44 (0.40) ALDH1A1HPGDMAPTMEN1KMT2A

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-0229878-B1 PROCESS FOR SOLIDIFYING TRITIUM FROM HTO-CONTAINING LIQUIDS KERNFORSCHUNGSZENTRUM KARLSRUHE GMBH (DE) 1989-06-07 EP claimed
EP-0229878-A1 Process for solidifying tritium from HTO-containing liquids KERNFORSCHUNGSZENTRUM KARLSRUHE GMBH (DE) 1987-07-29 EP claimed
EP-0229878-B1 PROCESS FOR SOLIDIFYING TRITIUM FROM HTO-CONTAINING LIQUIDS KERNFORSCHUNGSZENTRUM KARLSRUHE GMBH (DE) 1989-06-07 EP disclosed
EP-0229878-A1 Process for solidifying tritium from HTO-containing liquids KERNFORSCHUNGSZENTRUM KARLSRUHE GMBH (DE) 1987-07-29 EP disclosed