SCHEMBL30954802

SCHEMBL30954802

c1ccc2c(-n3ccnc3)ccc(-n3ccnc3)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.60
CYP3A4 P08684 5/20 0.57
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
CYP1A2 P05177 3/20 0.55
CYP2D6 P10635 3/20 0.55
CYP2C9 P11712 3/20 0.55
CYP2C19 P33261 3/20 0.55
LMNA P02545 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
MAPT P10636 2/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPK1 P28482 1/20 0.55
PMP22 Q01453 1/20 0.55
GAA P10253 1/20 0.52
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
CYP11B2 P19099 3/20 0.49
CYP19A1 P11511 2/20 0.49
CYP11B1 P15538 2/20 0.49

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
SCHEMBL8333929 0.89 IDO1 (0.50) IDO1CYP3A4MEN1KMT2ACYP1A2
SCHEMBL508849 0.84 IDO1 (0.58) IDO1CYP3A4MEN1KMT2ACYP1A2
SCHEMBL31408101 0.84 IDO1 (0.73) IDO1CYP3A4MEN1KMT2ACYP1A2
SCHEMBL16382293 0.84 IDO1 (0.73) IDO1CYP3A4MEN1KMT2ACYP1A2
SCHEMBL28914515 0.83 IDO1 (0.45) IDO1CYP3A4MEN1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL28957349 0.83 IDO1 (0.56) IDO1CYP3A4MEN1KMT2ACYP1A2
SCHEMBL1266835 0.82 IDO1 (0.51) IDO1CYP3A4MEN1KMT2ACYP1A2
SCHEMBL26998341 0.81 CGAS (0.51) IDO1CYP3A4MEN1KMT2ACYP1A2
SCHEMBL29154249 0.80 CYP3A4 (0.59) IDO1CYP3A4MEN1KMT2ACYP1A2
SCHEMBL13781521 0.80 CYP3A4 (0.50) IDO1CYP3A4MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119529298-A Cu-based metal organic framework material and preparation method and application thereof 北京农学院 2025-02-28 CN claimed
CN-118184583-A Bisimidazole organic ligand, metal organic framework material, preparation method and application 北京化工大学 2024-06-14 CN claimed
CN-119529298-A Cu-based metal organic framework material and preparation method and application thereof 北京农学院 2025-02-28 CN disclosed
CN-119529298-A Cu-based metal organic framework material and preparation method and application thereof 北京农学院 2025-02-28 CN disclosed
CN-118184583-A Bisimidazole organic ligand, metal organic framework material, preparation method and application 北京化工大学 2024-06-14 CN disclosed
CN-118184583-A Bisimidazole organic ligand, metal organic framework material, preparation method and application 北京化工大学 2024-06-14 CN disclosed