SCHEMBL28109668

SCHEMBL28109668

O=C(Nc1ccccc1C(F)(F)F)c1ccccc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.70
LMNA P02545 4/20 0.67
HTT P42858 4/20 0.67
NPC1 O15118 3/20 0.67
TP53 P04637 3/20 0.67
GAA P10253 1/20 0.67
CBR1 P16152 1/20 0.60
AKR1C3 P42330 1/20 0.60
KDM4E B2RXH2 4/20 0.59
HSD17B10 Q99714 3/20 0.59
ALDH1A1 P00352 2/20 0.59
HPGD P15428 2/20 0.59
MAPK1 P28482 1/20 0.59
P2RX1 P51575 2/20 0.57
P2RX4 Q99571 1/20 0.57
P2RX7 Q99572 1/20 0.57
TSHR P16473 2/20 0.55
RAB9A P51151 2/20 0.55
KMT2A Q03164 2/20 0.55
EPHB3 P54753 1/20 0.54

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
SCHEMBL27582898 0.87 LMNA (0.67) SMN1; SMN2LMNAHTTNPC1TP53
SCHEMBL7820305 0.84 SMN1; SMN2 (0.70) SMN1; SMN2GAAKDM4EALDH1A1KMT2A
SCHEMBL3279232 0.84 TMPRSS4 (0.70) SMN1; SMN2LMNAHTTNPC1TP53
SCHEMBL30771738 0.83 TMPRSS4 (0.73) SMN1; SMN2KDM4EP2RX1P2RX4P2RX7
SCHEMBL329995 0.83 TMPRSS4 (0.73) SMN1; SMN2KDM4EP2RX1P2RX4P2RX7
SCHEMBL28636438 0.83 KDM4E (0.74) SMN1; SMN2HTTGAAKDM4EALDH1A1
SCHEMBL7678596 0.82 LMNA (0.88) SMN1; SMN2LMNAHTTNPC1TP53
SCHEMBL11036423 0.82 CBR1 (0.65) SMN1; SMN2LMNAHTTNPC1GAA
SCHEMBL34475650 0.81 SMN1; SMN2 (0.52) SMN1; SMN2LMNAHTTNPC1TP53
SCHEMBL845142 0.81 LMNA (1.00) SMN1; SMN2LMNAHTTNPC1TP53

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-106456461-A Oral care composition containing silica and zinc citrate 高露洁-棕榄公司 2017-02-22 CN claimed