SCHEMBL30818296

SCHEMBL30818296

N#Cc1cnc2cccnc2c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.41
ELANE P08246 4/20 0.40
KDM4E B2RXH2 4/20 0.39
LRRK2 Q5S007 2/20 0.38
KDM4D Q6B0I6 1/20 0.36
MMP2 P08253 1/20 0.35
CHRM1 P11229 1/20 0.35
TSHR P16473 1/20 0.35
COMT P21964 1/20 0.35
ADRA1A P35348 1/20 0.35
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
EGLN1 Q9GZT9 2/20 0.35
HSP90AA1 P07900 4/20 0.34
MEN1 O00255 3/20 0.34
TP53 P04637 3/20 0.34
HTT P42858 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34

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
SCHEMBL6643350 1.00 KCNMA1 (0.41) KCNMA1ELANEKDM4ELRRK2KDM4D
SCHEMBL10883279 0.83 KDM4E (0.39) KDM4EKDM4DMMP2CHRM1TSHR
SCHEMBL16541494 0.79 NPC1 (0.41) KCNMA1ELANEKDM4ELRRK2KDM4D
SCHEMBL6646968 0.79 KDM4E (0.39) KCNMA1ELANEKDM4ELRRK2KDM4D
SCHEMBL14670855 0.77 LRRK2 (0.46) KCNMA1ELANEKDM4ELRRK2KDM4D
SCHEMBL1344423 0.75 LRRK2 (0.54) KDM4ELRRK2TSHRMEN1TP53
SCHEMBL1997985 0.74 LRRK2 (0.41) KCNMA1ELANEKDM4ELRRK2KDM4D
SCHEMBL13977543 0.74 MMP2 (0.52) KCNMA1KDM4EMMP2CHRM1TSHR
SCHEMBL24569776 0.73 CSNK1A1 (0.38) LRRK2TDP1ALDH1A1EGFRERBB2
SCHEMBL30083629 0.73 CSNK1A1 (0.38) LRRK2TDP1ALDH1A1EGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117603236-A Long-wave sensitized rare earth complex and preparation method and application thereof 北京大学 2024-02-27 CN claimed
CN-117603236-A Long-wave sensitized rare earth complex and preparation method and application thereof 北京大学 2024-02-27 CN disclosed