SCHEMBL28048679

SCHEMBL28048679

Cn1c(=O)c2ncn(Cl)c2n(C)c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
ALDH1A1 P00352 6/20 0.42
MAPT P10636 4/20 0.42
POLB P06746 2/20 0.42
ADORA2B P29275 4/20 0.41
ADORA2A P29274 2/20 0.41
PIK3CD O00329 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CNR1 P21554 1/20 0.41
ACHE P22303 1/20 0.41
ADORA1 P30542 1/20 0.41
NTSR1 P30989 1/20 0.41
MC3R P41968 1/20 0.41
NOTUM Q6P988 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
GDA Q9Y2T3 1/20 0.41
NR2E1 Q9Y466 1/20 0.41
HSD17B10 Q99714 1/20 0.40
HTT P42858 3/20 0.39
KDM4E B2RXH2 2/20 0.38

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
Isocaffiene SCHEMBL515995 0.81 LMNA (0.57) LMNAALDH1A1MAPTPOLBADORA2B
SCHEMBL1962417 0.80 LMNA (0.69) LMNAALDH1A1MAPTPOLBADORA2B
SCHEMBL8136340 0.78 LMNA (0.54) LMNAALDH1A1MAPTPOLBADORA2B
SCHEMBL3272841 0.78 LMNA (0.54) LMNAALDH1A1MAPTPOLBADORA2B
SCHEMBL8679546 0.76 LMNA (0.64) LMNAALDH1A1MAPTPOLBADORA2B
SCHEMBL23974579 0.74 LMNA (0.50) LMNAALDH1A1MAPTPOLBADORA2B
SCHEMBL19953694 0.74 LMNA (0.66) LMNAALDH1A1MAPTPOLBADORA2B
SCHEMBL23974577 0.74 LMNA (0.54) LMNAALDH1A1MAPTPOLBADORA2B
SCHEMBL17682185 0.74 LMNA (0.50) LMNAALDH1A1MAPTPOLBADORA2B
SCHEMBL19601295 0.73 LMNA (0.49) LMNAALDH1A1MAPTPOLBADORA2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107954991-A Substituted indoles -5- amphyls and their treatment use 南特生物科学公司 2018-04-24 CN disclosed
CN-105377261-B Substituted indol-5-ol derivatives and their therapeutic use 南特生物科学公司 2017-12-15 CN disclosed
CN-105377261-A Substituted indol-5-ol derivatives and their therapeutic use NANTBIO INC 2016-03-02 CN disclosed