SCHEMBL30051982

SCHEMBL30051982

O=C(Nc1cccnc1)Nc1cccnc1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.77
KMT2A Q03164 5/20 0.77
RAB9A P51151 4/20 0.77
NPC1 O15118 4/20 0.77
LMNA P02545 3/20 0.74
ALDH1A1 P00352 2/20 0.74
MAPT P10636 2/20 0.74
TSHR P16473 1/20 0.72
TAAR1 Q96RJ0 1/20 0.72
HTT P42858 2/20 0.70
KDM4E B2RXH2 1/20 0.70
PKM P14618 1/20 0.69
CDK2 P24941 1/20 0.69
FLT4 P35916 1/20 0.69
HIF1A Q16665 1/20 0.67
ATM Q13315 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.65
NAMPT P43490 1/20 0.65

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
SCHEMBL9637653 1.00 MEN1 (0.77) MEN1KMT2ARAB9ANPC1LMNA
Hydrochloric Acid SCHEMBL29388210 0.98 MEN1 (0.74) MEN1KMT2ARAB9ANPC1LMNA
Bromide SCHEMBL29417998 0.98 MEN1 (0.74) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL10665495 0.94 RAB9A (0.79) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL5633303 0.88 RAB9A (0.63) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL30633570 0.88 RAB9A (0.68) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL7785654 0.88 RAB9A (0.68) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL8663578 0.88 RAB9A (0.63) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL19932355 0.88 RAB9A (0.71) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL7849600 0.88 RAB9A (0.71) MEN1KMT2ARAB9ANPC1LMNA

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-117700769-A Novel complex Cd-MOF crystal structure and fluorescent property thereof 桂林理工大学 2024-03-15 CN disclosed
CN-117700769-A Novel complex Cd-MOF crystal structure and fluorescent property thereof 桂林理工大学 2024-03-15 CN disclosed
CN-114213286-B Synthetic method of urea derivative 湖北文理学院 2022-12-30 CN disclosed