SCHEMBL8099537

SCHEMBL8099537

CCNC(=O)NC(=O)/C=C/c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
HDAC3 O15379 4/20 0.58
HDAC1 Q13547 3/20 0.58
HDAC2 Q92769 3/20 0.58
HDAC4 P56524 2/20 0.58
HDAC8 Q9BY41 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
EGFR P00533 5/20 0.57
MMP1 P03956 3/20 0.57
MMP2 P08253 3/20 0.57
MMP9 P14780 3/20 0.57
HTT P42858 1/20 0.57
POLB P06746 2/20 0.54
RECQL P46063 1/20 0.54
SLC6A19 Q695T7 1/20 0.54
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
TDP1 Q9NUW8 2/20 0.53

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
SCHEMBL975479 0.88 KMT2A (0.69) KMT2AHDAC3HDAC1HDAC2HDAC4
SCHEMBL975477 0.88 KMT2A (0.69) KMT2AHDAC3HDAC1HDAC2HDAC4
SCHEMBL29060766 0.82 HDAC2 (0.76) KMT2AHDAC3HDAC1HDAC2HDAC4
SCHEMBL4029206 0.82 HDAC2 (0.76) KMT2AHDAC3HDAC1HDAC2HDAC4
SCHEMBL22645401 0.80 ALDH1A1 (0.62) KMT2AHDAC3HDAC1HDAC2HDAC4
SCHEMBL28440928 0.80 HDAC2 (0.73) KMT2AHDAC3HDAC1HDAC2HDAC4
SCHEMBL28440927 0.80 HDAC2 (0.73) KMT2AHDAC3HDAC1HDAC2HDAC4
SCHEMBL6971897 0.79 TDP1 (0.65) KMT2AHDAC3HDAC1HDAC2HDAC4
SCHEMBL6643474 0.79 HDAC3 (0.66) KMT2AHDAC3HDAC1HDAC2HDAC4
SCHEMBL27283033 0.79 HDAC3 (0.66) KMT2AHDAC3HDAC1HDAC2HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6140341-A FOR TREATING PAIN HOECHST AKTIENGESELLSCHAFT (DE) 2000-10-31 US disclosed
EP-0795547-B1 (Aminoalkyl- and acylaminoalkyl-oxy)benzyloxyquinolines, process for their preparation and use as Bradykinin receptor antagonists HOECHST AG (DE) 2000-05-10 EP disclosed
EP-0795547-A1 (Aminoalkyl- and acylaminoalkyl-oxy)benzyloxyquinolines, process for their preparation and use as Bradykinin receptor antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-17 EP disclosed