SCHEMBL4607445

SCHEMBL4607445

NCCNC(=O)C=Cc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.75
MMP1 P03956 3/20 0.69
MMP2 P08253 3/20 0.69
MMP9 P14780 3/20 0.69
POLB P06746 1/20 0.69
RECQL P46063 1/20 0.69
RAB9A P51151 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
EGFR P00533 1/20 0.63
HDAC3 O15379 2/20 0.60
HDAC4 P56524 2/20 0.60
HDAC1 Q13547 2/20 0.60
HDAC2 Q92769 2/20 0.60
HDAC8 Q9BY41 2/20 0.60
HDAC6 Q9UBN7 2/20 0.60
ALDH1A1 P00352 2/20 0.60
HPGD P15428 1/20 0.60
NPC1 O15118 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC10 Q969S8 1/20 0.60

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
SCHEMBL4607437 1.00 KMT2A (0.75) KMT2AMMP1MMP2MMP9POLB
SCHEMBL28337540 0.90 KMT2A (0.81) KMT2AMMP1MMP2MMP9POLB
SCHEMBL11590847 0.89 KMT2A (0.86) KMT2AMMP1MMP2MMP9POLB
SCHEMBL23196472 0.89 KMT2A (0.79) KMT2AMMP1MMP2MMP9POLB
SCHEMBL3196106 0.89 KMT2A (0.79) KMT2AMMP1MMP2MMP9POLB
Hydrochloric Acid SCHEMBL29277256 0.87 KMT2A (0.77) KMT2AMMP1MMP2MMP9POLB
SCHEMBL28448156 0.87 KMT2A (0.77) KMT2AMMP1MMP2MMP9POLB
SCHEMBL25189008 0.87 KMT2A (0.77) KMT2AMMP1MMP2MMP9POLB
Hydrochloric Acid SCHEMBL29277254 0.87 KMT2A (0.77) KMT2AMMP1MMP2MMP9POLB
SCHEMBL25264834 0.87 KMT2A (0.77) KMT2AMMP1MMP2MMP9POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960356-A2 MULTIVALENT INDOLE COMPOUNDS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS Ilypsa, Inc. (US) 2008-08-27 EP disclosed
EP-1951315-A2 PHOSPHOLIPASE INHIBITORS, INCLUDING MULTI-VALENT PHOSPHOLIPASE INHIBITORS, AND USE THEREOF, INCLUDING AS LUMEN-LOCALIZED PHOSPHOLIPASE INHIBITORS Ilypsa, Inc. (US) 2008-08-06 EP disclosed
EP-1948656-A2 AZAINDOLE COMPOUNDS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS Ilypsa, Inc. (US) 2008-07-30 EP disclosed
EP-1948602-A2 INDOLE COMPOUNDS HAVING C4-AMIDE SUBSTITUENTS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS Ilypsa, Inc. (US) 2008-07-30 EP disclosed
EP-1948604-A1 INDOLE COMPOUNDS HAVING C4-ACIDIC SUBSTITUENTS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS Ilypsa, Inc. (US) 2008-07-30 EP disclosed
EP-1747003-A4 PHOSPHOLIPASE INHIBITORS LOCALIZED IN THE GASTROINTESTINAL LUMEN ILYPSA INC (US) 2008-01-09 EP disclosed
WO-2007056279-A2 PHOSPHOLIPASE INHIBITORS, INCLUDING MULTI-VALENT PHOSPHOLIPASE INHIBITORS, AND USE THEREOF, INCLUDING AS LUMEN-LOCALIZED PHOSPHOLIPASE INHIBITORS ILYPSA, INC. (US) 2007-05-18 WO disclosed
WO-2007056184-A2 AZAINDOLE COMPOUNDS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS ILYPSA, INC. (US) 2007-05-18 WO disclosed
WO-2007056275-A2 INDOLE COMPOUNDS HAVING C4-AMIDE SUBSTITUENTS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS ILYPSA, INC. (US) 2007-05-18 WO disclosed
WO-2007056281-A2 MULTIVALENT INDOLE COMPOUNDS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS ILYPSA, INC. (US) 2007-05-18 WO disclosed
WO-2007056280-A1 INDOLE COMPOUNDS HAVING C4-ACIDIC SUBSTITUENTS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS ILYPSA, INC. (US) 2007-05-18 WO disclosed
EP-1747003-A1 PHOSPHOLIPASE INHIBITORS LOCALIZED IN THE GASTROINTESTINAL LUMEN Ilypsa, Inc. (US) 2007-01-31 EP disclosed
WO-2005107766-A1 PHOSPHOLIPASE INHIBITORS LOCALIZED IN THE GASTROINTESTINAL LUMEN ILYPSA, INC. (US) 2005-11-17 WO disclosed