SCHEMBL24327508

SCHEMBL24327508

COC(=O)c1ccc(-n2[nH]c(=O)n(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.45
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42
CYP2C19 P33261 1/20 0.42
AGTR1 P30556 1/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
P2RX3 P56373 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TLR7 Q9NYK1 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL24327425 0.86 P2RX3 (0.47) SMN1; SMN2KDM4EHDAC1HDAC8HDAC6
SCHEMBL24327920 0.85 PDE4A (0.47) SMN1; SMN2KMT2AMAPTNPC1HTT
SCHEMBL24327423 0.80 RGS4 (0.45) CYP3A4CYP1A2GAACYP2C19KMT2A
SCHEMBL24327921 0.80 TRPV1 (0.48) KMT2AP2RX3POLBHSD17B10TLR7
SCHEMBL24328735 0.78 P2RX3 (0.44) KDM4EHDAC1HDAC8HDAC6P2RX3
SCHEMBL24327512 0.77 KIF11 (0.42) SMN1; SMN2KDM4ECYP3A4CYP1A2CYP2C19
SCHEMBL24327426 0.77 P2RX3 (0.44) CYP2C19HDAC1HDAC8HDAC6P2RX3
SCHEMBL5205919 0.76 LMNA (0.47) GAAAGTR1KMT2AP2RX3MAPT
SCHEMBL24327444 0.75 CHRM5 (0.46) P2RX3
SCHEMBL24327510 0.75 RGS4 (0.52) SMN1; SMN2CYP1A2KMT2AP2RX3MAPT

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
WO-2022081984-A1 METHODS AND COMPOUNDS TO TREAT SARS INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-04-21 WO disclosed