SCHEMBL11034900

SCHEMBL11034900

N#CC(=CNc1nc2ccccc2[nH]1)c1nnn[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.50
▸ MEN1 O00255 9/20 0.50
▸ KMT2A Q03164 9/20 0.50
▸ LMNA P02545 6/20 0.50
▸ GAA P10253 1/20 0.50
▸ NPC1 O15118 6/20 0.47
▸ RAB9A P51151 6/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ KDM4E B2RXH2 5/20 0.44
▸ NPSR1 Q6W5P4 4/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ POLB P06746 3/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ NSD2 O96028 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ NFKB1 P19838 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
SCHEMBL11034895 1.00 MAPT (0.50) MAPTMEN1KMT2ALMNAGAA
SCHEMBL10987773 0.76 MEN1 (0.41) MAPTMEN1KMT2ALMNAGAA
SCHEMBL4318524 0.73 GAA (0.43) MAPTMEN1KMT2ALMNAGAA
SCHEMBL9595515 0.73 MAPT (0.48) MAPTMEN1KMT2ALMNAGAA
SCHEMBL10993495 0.73 GAA (0.32) MAPTMEN1KMT2ALMNAGAA
SCHEMBL9603546 0.72 KMT2A (0.41) MAPTMEN1KMT2ALMNAGAA
SCHEMBL10990642 0.70 MAPT (0.46) MAPTMEN1KMT2ALMNAGAA
SCHEMBL10990634 0.70 MAPT (0.46) MAPTMEN1KMT2ALMNAGAA
SCHEMBL9599085 0.69 GAA (0.33) MAPTMEN1KMT2ALMNAGAA
SCHEMBL9038722 0.68 MAPT (0.43) MAPTMEN1KMT2ALMNAGAA

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
US-4491587-A ANTIALLERGENS, ANTIHISTAMINES, MUSCLE RELAXANTS/ INSULATING POWDER BLANKET ABOVD THE MELT WITH HEAT GENERATED IN THE MELT BY ELECTRIC CURRENT; LOWER TEMPERATURE MEAD JOHNSON & COMPANY (US) 1985-01-01 — — US disclosed
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