SCHEMBL28360587

SCHEMBL28360587

NNc1ncc(-c2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAPT P10636 3/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ADORA1 P30542 14/20 0.53
ADORA2A P29274 5/20 0.53
AGTR1 P30556 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
SCHEMBL5217883 0.82 NUDT1 (0.53) ADORA1ADORA2A
SCHEMBL31061144 0.79 ADORA1 (0.55) GAAKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL24309336 0.77 ADORA1 (0.46) ADORA1ADORA2A
SCHEMBL6101291 0.77 ADORA1 (0.48) GAASMN1; SMN2MAPTADORA1ADORA2A
SCHEMBL6101443 0.77 ADORA1 (0.48) GAASMN1; SMN2MAPTADORA1ADORA2A
SCHEMBL4582424 0.76 ADORA1 (0.83) MAPTKMT2AADORA1ADORA2A
SCHEMBL24309337 0.74 NPSR1 (0.51) ALDH1A1LMNAMAPTMEN1KMT2A
Ammonia Solution, Strong SCHEMBL28877790 0.74 ADORA1 (0.81) MAPTKMT2AADORA1ADORA2A
SCHEMBL5990731 0.73 ADORA1 (0.54) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL3486704 0.72 SMN1; SMN2 (0.54) GAAKDM4EALDH1A1LMNASMN1; SMN2

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-110835406-B Free radical monomer containing diphenylamine structure and preparation method and application of polymer thereof 武汉理工大学 2020-09-01 CN disclosed
CN-110835406-A Novel free radical monomer containing diphenylamine structure and preparation method and application of polymer thereof 武汉理工大学 2020-02-25 CN disclosed