SCHEMBL28036264

SCHEMBL28036264

CCC(OP(=O)(O)O)c1ccncc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 4/20 0.37
ALOX15 P16050 1/20 0.37
CYP17A1 P05093 3/20 0.37
FDPS P14324 2/20 0.37
HSD17B10 Q99714 1/20 0.37
GRM8 O00222 1/20 0.36
GRM4 Q14833 1/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
NOX1 Q9Y5S8 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
SCHEMBL28980053 0.82 POLB (0.46) ALOX15LMNAHPGDPOLB
SCHEMBL759322 0.82 POLB (0.46) ALOX15LMNAHPGDPOLB
SCHEMBL13667665 0.80 CYP17A1 (0.39) KDM4EMAPTALDH1A1ALOX15CYP17A1
SCHEMBL2634157 0.72 KMT2A (0.39) KDM4EMAPTALDH1A1CYP17A1LMNA
SCHEMBL5515058 0.71 CYP17A1 (0.39) KDM4EMAPTALDH1A1CYP17A1LMNA
SCHEMBL3140206 0.68 HMGCR (0.46) MAPTALDH1A1ALOX15LMNAHTT
SCHEMBL759321 0.67 POLB (0.44) MAPTALDH1A1ALOX15LMNAHPGD
SCHEMBL8435976 0.67 SMPD1 (0.45) KDM4EALDH1A1FDPSPOLB
SCHEMBL9789602 0.66 HPGD (0.49) KDM4EMAPTALDH1A1FDPSHSD17B10
SCHEMBL4943611 0.66 SMPD1 (0.51) ALDH1A1FDPSPOLB

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-103752343-B Ruthenium water oxidation catalyst, preparation method and application DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2015-11-18 CN disclosed