SCHEMBL28819670

SCHEMBL28819670

O=C(Cn1c(-c2ccccc2)nc2ccccc21)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.61
KDM4E B2RXH2 2/20 0.61
TSHR P16473 2/20 0.52
LMNA P02545 1/20 0.52
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HRH3 Q9Y5N1 4/20 0.47
PDE6D O43924 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ALDH2 P05091 1/20 0.47
ALDH3A1 P30838 1/20 0.47
PTAFR P25105 1/20 0.47
USP2 O75604 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL28819659 0.91 PIN1 (0.52) HSD17B10KDM4ETSHRLMNAMEN1
SCHEMBL28948669 0.90 KDM4E (0.49) HSD17B10KDM4ETSHRLMNAMEN1
SCHEMBL16569243 0.90 TP53 (0.51) HSD17B10KDM4ETSHRLMNAALDH1A1
SCHEMBL28819621 0.89 PTAFR (0.49) HSD17B10KDM4ETSHRLMNAMEN1
SCHEMBL28819587 0.89 KDM4E (0.48) HSD17B10KDM4ETSHRMEN1KMT2A
SCHEMBL28819716 0.88 ALDH1A1 (0.47) HSD17B10KDM4ETSHRLMNAMEN1
SCHEMBL28819741 0.88 KDM4E (0.47) HSD17B10KDM4ETSHRLMNAMEN1
SCHEMBL28819490 0.88 KDM4E (0.47) HSD17B10KDM4ETSHRLMNAMEN1
SCHEMBL28819667 0.88 KDM4E (0.47) HSD17B10KDM4ETSHRMEN1KMT2A
SCHEMBL28819565 0.88 HSD17B10 (0.47) HSD17B10KDM4ETSHRLMNAPTAFR

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-110404073-B Methods and pharmaceutical compositions for treating hepatitis B virus infection 国家医疗保健研究所 2022-08-16 CN disclosed