SCHEMBL11273090

SCHEMBL11273090

CCCCCCCCNC(=O)COC(=O)c1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.50
KMT2A Q03164 3/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HPGD P15428 3/20 0.45
RECQL P46063 1/20 0.45
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
FAAH O00519 1/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CASP1 P29466 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
SCHEMBL11277245 0.99 MGLL (0.48) MGLLKMT2AHDAC1HDAC2HPGD
SCHEMBL11267592 0.96 KMT2A (0.47) MGLLKMT2AHDAC1HDAC2HPGD
SCHEMBL11280102 0.91 KLK7 (0.46) MGLLKMT2AHDAC1HDAC2MAPT
SCHEMBL11271598 0.91 KLK7 (0.46) MGLLKMT2AHDAC1HDAC2MAPT
SCHEMBL11272851 0.89 MGLL (0.43) MGLLKMT2AHDAC1HDAC2HPGD
SCHEMBL11268601 0.88 KMT2A (0.45) MGLLKMT2AHPGDMAPTMEN1
SCHEMBL11268595 0.88 KMT2A (0.45) MGLLKMT2AHPGDMAPTMEN1
SCHEMBL11272855 0.88 KMT2A (0.46) MGLLKMT2AHPGDITGB3ITGA2B
SCHEMBL11271175 0.86 KLK7 (0.47) KMT2AMAPTMEN1ALDH1A1NPC1
SCHEMBL11273835 0.85 KMT2A (0.40) MGLLKMT2AHDAC1HDAC2HPGD

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-4310533-A INHIBITING PLASMIN AND-OR TRYSIN ACTIVITY ONO PHARMACEUTICAL CO., LTD. (JP) 1982-01-12 US disclosed