SCHEMBL11520536

SCHEMBL11520536

CCOC(=O)c1ccc(Nc2nc(Nc3ccc(C(=O)OCC)cc3)nc(N(CC)CC)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.67
KMT2A Q03164 7/20 0.67
RAB9A P51151 5/20 0.67
THRB P10828 1/20 0.67
PDPK1 O15530 1/20 0.62
CYP1A2 P05177 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
SLC2A1 P11166 1/20 0.56
HTT P42858 1/20 0.54
CFTR P13569 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.52
NPC1 O15118 4/20 0.52
TP53 P04637 2/20 0.52
POLB P06746 2/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
MAPT P10636 3/20 0.52

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
SCHEMBL11320715 0.92 MEN1 (0.60) MEN1KMT2ARAB9ATHRBPDPK1
SCHEMBL11758551 0.89 NPSR1 (0.69) MEN1KMT2ARAB9ATHRBPDPK1
SCHEMBL12253193 0.89 MEN1 (0.83) MEN1KMT2ARAB9ATHRBPDPK1
SCHEMBL4544848 0.85 KMT2A (0.76) MEN1KMT2ARAB9ATHRBPDPK1
SCHEMBL11307824 0.84 MEN1 (0.63) MEN1KMT2ARAB9ATHRBPDPK1
SCHEMBL11760537 0.83 CFTR (0.67) MEN1KMT2ARAB9ACYP1A2CYP2C9
SCHEMBL13852878 0.82 MEN1 (0.72) MEN1KMT2ARAB9ATHRBPDPK1
SCHEMBL11692867 0.80 RAB9A (0.58) MEN1KMT2ARAB9ATHRBPDPK1
SCHEMBL11600870 0.80 MEN1 (0.72) MEN1KMT2ARAB9ATHRBPDPK1
SCHEMBL13852875 0.78 MEN1 (0.66) MEN1KMT2ARAB9ATHRBPDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4034018-A Linear polyesters based on s-triazinedicarboxylic acids CIBA-GEIGY CORPORATION (US) 1977-07-05 US claimed
US-4139512-A THERMOPLASTIC CIBA-GEIGY CORPORATION (US) 1979-02-13 US disclosed
US-4034019-A OR ISOPHTHALIC ACIDMOLDING MATERIALS, COATINGS CIGA-GEIGY CORPORATION (US) 1977-07-05 US disclosed
US-4034018-A Linear polyesters based on s-triazinedicarboxylic acids CIBA-GEIGY CORPORATION (US) 1977-07-05 US disclosed