SCHEMBL28033075

SCHEMBL28033075

Nc1ccc(-c2ccc(N)cc2O)c(O)c1.Nc1ccc(-c2ccc(N)cc2O)c(O)c1.O=S

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.52
TSHR P16473 3/20 0.52
ALDH1A1 P00352 5/20 0.52
CYP3A4 P08684 5/20 0.52
KDM4E B2RXH2 3/20 0.52
MAPT P10636 3/20 0.52
GAA P10253 3/20 0.52
ESR2 Q92731 1/20 0.52
PTPN1 P18031 1/20 0.52
HSD17B10 Q99714 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
ALOX15 P16050 3/20 0.48
POLB P06746 3/20 0.48
MAPK1 P28482 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 2/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 2/20 0.46
KDR P35968 2/20 0.46
CASP7 P55210 2/20 0.46

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
SCHEMBL29484239 0.92 CASP1 (0.59) CASP1TSHRALDH1A1CYP3A4KDM4E
SCHEMBL483397 0.92 CASP1 (0.59) CASP1TSHRALDH1A1CYP3A4KDM4E
Methane SCHEMBL28033104 0.89 CASP1 (0.56) CASP1TSHRALDH1A1CYP3A4KDM4E
SCHEMBL5685322 0.82 CASP1 (0.50) CASP1TSHRALDH1A1CYP3A4KDM4E
SCHEMBL5687674 0.82 ALDH1A1 (0.50) CASP1TSHRALDH1A1CYP3A4KDM4E
SCHEMBL6783805 0.82 PDE10A (0.56) CASP1TSHRALDH1A1CYP3A4KDM4E
SCHEMBL28053536 0.82 ALDH1A1 (0.56) CASP1TSHRALDH1A1CYP3A4KDM4E
SCHEMBL5688007 0.80 TSHR (0.48) CASP1TSHRALDH1A1CYP3A4KDM4E
SCHEMBL5687750 0.80 SMN1; SMN2 (0.50) CASP1TSHRALDH1A1CYP3A4KDM4E
SCHEMBL8781157 0.78 TSHR (0.46) CASP1TSHRALDH1A1CYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103140800-B Novelty photosensitive resin composition makes cover group and utilization thereof KANEKA CORP. (JP) 2015-11-25 CN disclosed