SCHEMBL28575627

SCHEMBL28575627

Nc1ccc(Oc2ncnc(N)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
APAF1 O14727 1/20 0.55
ALDH1A1 P00352 7/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
PKM P14618 1/20 0.44
SCN9A Q15858 2/20 0.43
KCNH2 Q12809 1/20 0.43
SCN5A Q14524 1/20 0.43
MAOA P21397 2/20 0.42
MAPT P10636 6/20 0.41
TEAD4 Q15561 1/20 0.41
MAOB P27338 1/20 0.41
KDM1A O60341 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
MITF O75030 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL14877561 0.90 MEN1 (0.61) KMT2AMEN1APAF1ALDH1A1TDP1
SCHEMBL3416586 0.85 MAP4K4 (0.45) KMT2AMEN1APAF1ALDH1A1TSHR
SCHEMBL3172926 0.81 HSP90AA1 (0.39) ALDH1A1SCN9AKCNH2SCN5AMAPT
SCHEMBL14614462 0.79 ALDH1A1 (0.42) KMT2AMEN1APAF1ALDH1A1TDP1
SCHEMBL5586071 0.78 MEN1 (0.67) KMT2AMEN1APAF1ALDH1A1TDP1
SCHEMBL28570121 0.78 PKM (0.53) KMT2AMEN1APAF1ALDH1A1TDP1
SCHEMBL6677981 0.77 ALDH1A1 (0.65) KMT2AMEN1APAF1ALDH1A1TDP1
SCHEMBL2345370 0.71 MEN1 (1.00) KMT2AMEN1APAF1ALDH1A1TDP1
SCHEMBL10681003 0.70 MEN1 (0.61) KMT2AMEN1APAF1ALDH1A1TDP1
SCHEMBL24270327 0.69 MEN1 (0.67) KMT2AMEN1APAF1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107849352-B Polyimide precursor composition and polyimide composition 宇部兴产株式会社 2021-05-28 CN disclosed