SCHEMBL29177828

SCHEMBL29177828

c1ccc(-c2ccccc2-c2ncc(-c3ccccc3)c(-c3ccccc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 11/20 0.51
ADORA2A P29274 7/20 0.51
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5990731 0.88 ADORA1 (0.54) ADORA1ADORA2ANPC1NFKB1RAB9A
SCHEMBL12854071 0.81 SMN1; SMN2 (0.47) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL12854070 0.81 SMN1; SMN2 (0.47) ADORA1ADORA2ANPC1NFKB1RAB9A
SCHEMBL27970612 0.79 NPC1 (0.59) ADORA1ADORA2ANPC1NFKB1RAB9A
SCHEMBL17993487 0.79 ALDH1A1 (0.58) ADORA1ADORA2ANPC1NFKB1RAB9A
SCHEMBL17445456 0.79 NPC1 (0.59) ADORA1ADORA2ANPC1NFKB1RAB9A
SCHEMBL24527256 0.76 ADORA1 (0.48) ADORA1ADORA2ANPC1RAB9ASMN1; SMN2
SCHEMBL27287998 0.76 CYP1A2 (0.56) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL14380287 0.75 SMN1; SMN2 (0.54) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL27446450 0.75 GPR55 (0.47) ADORA1ADORA2ANPC1NFKB1RAB9A

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-118339941-A Mixed powder and method for producing same, method for producing organic electroluminescent element using same, method for selecting compound in mixed powder, and composition for vacuum vapor deposition 出光兴产株式会社 2024-07-12 CN disclosed
CN-117616909-A Mixed powder for organic electroluminescent element and method for producing same, method for producing organic electroluminescent element using same, method for selecting compound in mixed powder, and composition for vacuum evaporation 出光兴产株式会社 2024-02-27 CN disclosed
CN-117581654-A Mixed powder, mixed body, and method for manufacturing organic electroluminescent element 出光兴产株式会社 2024-02-20 CN disclosed