SCHEMBL12754141

SCHEMBL12754141

C(=N/Nc1nnn[nH]1)\c1ccc(-c2ccccc2)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 6/20 0.50
▸ MEN1 O00255 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ RAB9A P51151 5/20 0.50
▸ HPGD P15428 4/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ THRB P10828 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ MAPT P10636 13/20 0.49
▸ KDM4E B2RXH2 7/20 0.49
▸ LMNA P02545 4/20 0.49
▸ GFER P55789 1/20 0.48
▸ POLB P06746 6/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAPK1 P28482 2/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.42
▸ HTT P42858 1/20 0.42

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
SCHEMBL12416588 0.88 MAPT (0.51) GAAMEN1KMT2ARAB9AHPGD
SCHEMBL12507664 0.86 RAB9A (0.46) GAAMEN1KMT2ARAB9AHPGD
SCHEMBL6721119 0.85 KDM4E (0.69) GAAMEN1KMT2ARAB9AHPGD
SCHEMBL14104213 0.83 MAPT (0.57) GAAMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL15558824 0.79 CTH (0.54) GAAMEN1KMT2ARAB9AHPGD
SCHEMBL15558826 0.79 CTH (0.54) GAAMEN1KMT2ARAB9AHPGD
SCHEMBL15559041 0.74 KMT2A (0.51) GAAMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL15559039 0.74 KMT2A (0.51) GAAMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL13381802 0.69 KDM4E (0.58) GAAMEN1KMT2ARAB9AHPGD
SCHEMBL15548998 0.68 CTH (0.56) GAAMEN1KMT2ARAB9AHPGD

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
US-7915245-B2 Using small molecules as binding ligands, for the recruitment of Fas-associated death domain protein, activation of death-inducing signaling complex, caspase-8, and apoptosis in malignant cells; anticarcinogens, antitumor agents; enhanced cellular differentiation, minimizing cytolysis to healthy cells THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-03-29 — — US disclosed
US-7915245-B2 Using small molecules as binding ligands, for the recruitment of Fas-associated death domain protein, activation of death-inducing signaling complex, caspase-8, and apoptosis in malignant cells; anticarcinogens, antitumor agents; enhanced cellular differentiation, minimizing cytolysis to healthy cells THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-03-29 — — US disclosed
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