SCHEMBL28366234

SCHEMBL28366234

C=Cc1ccc(-c2nn[nH]n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADH5 P11766 1/20 0.67
RPA1 P27694 1/20 0.58
ATM Q13315 1/20 0.58
XDH P47989 8/20 0.53
TP53 P04637 3/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
ESR2 Q92731 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HPGDS O60760 1/20 0.47
CYP19A1 P11511 1/20 0.46

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
SCHEMBL9984638 0.83 ADH5 (0.95) ADH5RPA1ATMXDHTP53
SCHEMBL360413 0.81 ADH5 (0.67) ADH5RPA1ATMXDHTP53
SCHEMBL31272397 0.81 KMT2A (0.62) ADH5RPA1TP53NPC1RAB9A
Hydrochloric Acid SCHEMBL21774251 0.79 ADH5 (0.64) ADH5RPA1ATMXDHTP53
SCHEMBL27613274 0.77 ADH5 (0.60) ADH5RPA1ATMXDHTP53
SCHEMBL5891983 0.76 ADH5 (0.79) ADH5RPA1ATMXDHTP53
SCHEMBL1248039 0.74 ADH5 (0.75) ADH5RPA1ATMXDHTP53
SCHEMBL1777649 0.74 ADH5 (0.75) ADH5RPA1ATMXDHTP53
SCHEMBL8295416 0.74 RPA1 (1.00) ADH5RPA1ATMXDHTP53
SCHEMBL2645809 0.74 ADH5 (0.75) ADH5RPA1ATMXDHTP53

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-106459095-B Metal Organic Framework (MOF) yellow phosphor and application thereof in white light emitting device 新泽西鲁特格斯州立大学 2020-03-10 CN disclosed