SCHEMBL20041805

SCHEMBL20041805

Nc1ccccc1NCNc1nonc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT5B P51692 3/20 0.45
FURIN P09958 1/20 0.41
HDAC1 Q13547 11/20 0.38
HDAC3 O15379 8/20 0.38
HDAC2 Q92769 8/20 0.38
HDAC4 P56524 4/20 0.38
HDAC7 Q8WUI4 4/20 0.38
HDAC10 Q969S8 4/20 0.38
HDAC11 Q96DB2 4/20 0.38
HDAC8 Q9BY41 4/20 0.38
HDAC6 Q9UBN7 4/20 0.38
HDAC9 Q9UKV0 4/20 0.38
HDAC5 Q9UQL6 4/20 0.38
IDO1 P14902 2/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.37
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
NCOR2 Q9Y618 4/20 0.36
PIM1 P11309 1/20 0.35

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
SCHEMBL20041804 0.81 STAT5B (0.42) STAT5BFURINHDAC1HDAC3HDAC2
SCHEMBL23615898 0.77 CYP1A2 (0.45) FURINHDAC1HDAC3HDAC2MAPK1
SCHEMBL23615873 0.69 STAT5B (0.47) STAT5BFURIN
SCHEMBL20048222 0.68 STAT5B (0.46) STAT5BFURIN
SCHEMBL14397810 0.68 TDP1 (0.46) STAT5BHDAC1HDAC3HDAC2HDAC4
Hydrochloric Acid SCHEMBL29008104 0.66 HDAC1 (0.52) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL1697077 0.66 HDAC1 (0.52) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL22096008 0.65 ALDH1A1 (0.67) STAT5BALDH1A1KDM4EKMT2A
SCHEMBL26921523 0.65 HDAC1 (0.51) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL22096016 0.64 STAT5B (0.81) STAT5BHDAC6ALDH1A1

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
EP-3305783-A1 NOVEL FURAZAN-3-CARBOXYLIC ACID DERIVATIVES AND USE THEREOF IN TREATMENT OF CANCER Freie Universität Berlin (DE) 2018-04-11 EP disclosed