SCHEMBL28847140

SCHEMBL28847140

CCOC(Oc1ccccc1NC(=O)c1cccnc1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.64
TP53 P04637 1/20 0.55
POLB P06746 1/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 3/20 0.50
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
LMNA P02545 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
GAA P10253 1/20 0.48
KDM4E B2RXH2 4/20 0.48
MAPK1 P28482 1/20 0.47
P4HTM Q9NXG6 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL11194354 0.81 MAPT (0.74) MAPTTP53SMN1; SMN2ALDH1A1ALOX15
SCHEMBL19133763 0.80 HSD17B10 (0.60) MAPTPOLBTSHRSMN1; SMN2ALDH1A1
SCHEMBL30322830 0.80 HSD17B10 (0.60) MAPTPOLBTSHRSMN1; SMN2ALDH1A1
SCHEMBL21118532 0.79 MAPT (0.58) MAPTTP53TSHRALDH1A1ALOX15
SCHEMBL28847138 0.79 LMNA (0.49) MAPTTP53TSHRALDH1A1LMNA
SCHEMBL29989633 0.79 MAPT (1.00) MAPTPOLBTSHRSMN1; SMN2ALDH1A1
SCHEMBL4651272 0.79 MAPT (1.00) MAPTPOLBTSHRSMN1; SMN2ALDH1A1
SCHEMBL31261694 0.74 NAMPT (0.55) MAPTTSHRSMN1; SMN2ALDH1A1HTT
SCHEMBL29865428 0.71 MAPT (0.66) MAPTTP53POLBTSHRSMN1; SMN2
SCHEMBL2330387 0.70 ALDH1A1 (0.73) MAPTTP53POLBSMN1; SMN2ALDH1A1

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-109836378-B Sphingomyelin synthase inhibitor, preparation method and application thereof 上海华汇拓医药科技有限公司 2022-09-30 CN disclosed