SCHEMBL28173261

SCHEMBL28173261

O=CNc1ccc2cccnc2c1.[H+]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 3/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
NR4A2 P43354 1/20 0.47
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
BAZ1A Q9NRL2 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TRPV1 Q8NER1 4/20 0.44
P2RY14 Q15391 2/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
NOTUM Q6P988 1/20 0.43
PABPC1 P11940 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
SCHEMBL18789747 0.98 MEN1 (0.50) MEN1KMT2AALDH1A1CASP1CASP7
SCHEMBL28152084 0.87 NPC1 (0.59) MEN1KMT2AALDH1A1CASP1CYP1A2
SCHEMBL10133307 0.85 NPC1 (0.61) MEN1KMT2AALDH1A1CASP1CYP1A2
SCHEMBL27768402 0.77 KMT2A (0.50) MEN1KMT2AALDH1A1CASP1CASP7
SCHEMBL28067551 0.77 ALDH1A1 (0.38) MEN1KMT2AALDH1A1CASP1CASP7
SCHEMBL598102 0.75 NR4A2 (0.58) MEN1KMT2AALDH1A1CASP1CASP7
SCHEMBL22658423 0.75 ALDH1A1 (0.53) MEN1KMT2AALDH1A1CASP1CASP7
SCHEMBL29697303 0.75 ALDH1A1 (0.58) MEN1KMT2AALDH1A1CASP1CASP7
SCHEMBL3072828 0.75 ALDH1A1 (0.58) MEN1KMT2AALDH1A1CASP1CASP7
SCHEMBL27389314 0.75 MEN1 (0.76) MEN1KMT2AALDH1A1CASP1CASP7

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-107207486-A For suppressing method of protein and combination outside Bu Luomo domains and end 康威基内有限公司 2017-09-26 CN disclosed