SCHEMBL8938110

SCHEMBL8938110

NCCONC(=O)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
EPHX2 P34913 2/20 0.50
CNR2 P34972 4/20 0.46
ALDH1A1 P00352 3/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
AKR1B1 P15121 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
IDO1 P14902 1/20 0.45
CASP1 P29466 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL7424713 0.81 NPC1 (0.62) HDAC8HDAC6MEN1KMT2AEPHX2
SCHEMBL8938142 0.80 DRD4 (0.50) HDAC8HDAC6MEN1KMT2AALDH1A1
SCHEMBL28308722 0.80 KMT2A (0.55) HDAC8HDAC6MEN1KMT2AEPHX2
SCHEMBL28139812 0.79 MEN1 (0.60) HDAC8HDAC6MEN1KMT2AEPHX2
SCHEMBL14821325 0.77 ITGB3 (0.59) HDAC6ALDH1A1KDM4ELMNAITGB3
SCHEMBL23067457 0.76 CA12 (0.58) KMT2AALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL10625988 0.76 MEN1 (0.51) HDAC8HDAC6MEN1KMT2AEPHX2
Hydrochloric Acid SCHEMBL14812031 0.76 ITGB3 (0.58) HDAC6ALDH1A1KDM4ELMNAITGB3
SCHEMBL5169062 0.76 ALDH1A1 (0.62) MEN1KMT2ACNR2ALDH1A1MAPT
SCHEMBL1600243 0.76 MEN1 (0.59) HDAC8HDAC6MEN1KMT2AEPHX2

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-5502078-A Chemical compounds ZENECA LIMITED (GB) 1996-03-26 US disclosed