SCHEMBL8200546

SCHEMBL8200546

C=C(O)c1nc2scc(-c3cnccn3)c2c(=O)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.37
KMT2A Q03164 5/20 0.37
ALDH1A1 P00352 6/20 0.37
HPGD P15428 1/20 0.37
MAPT P10636 5/20 0.36
POLB P06746 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
LMNA P02545 3/20 0.34
KRAS P01116 1/20 0.34
TMIGD3 P0DMS9 1/20 0.34
ADORA1 P30542 1/20 0.34
MEN1 O00255 2/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
USP2 O75604 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL8187464 0.89 KDM4E (0.41) KDM4EKMT2AALDH1A1HPGDMAPT
SCHEMBL8202655 0.84 CDC7 (0.38) KDM4EKMT2AALDH1A1HPGDMAPT
SCHEMBL8202645 0.80 KDM4E (0.51) KDM4EKMT2AALDH1A1HPGDMAPT
SCHEMBL8195288 0.80 KMT2A (0.57) KDM4EKMT2AALDH1A1HPGDMAPT
SCHEMBL8195420 0.74 KMT2A (0.60) KDM4EKMT2AALDH1A1MAPTPOLB
SCHEMBL8195665 0.74 ALDH1A1 (0.44) KDM4EKMT2AALDH1A1HPGDMAPT
SCHEMBL8197797 0.73 ALDH1A1 (0.65) KDM4EKMT2AALDH1A1HPGDMAPT
SCHEMBL8195711 0.72 EGLN1 (0.49) KDM4EKMT2AALDH1A1HPGDPOLB
SCHEMBL8199610 0.71 TMIGD3 (0.68) KDM4EKMT2AALDH1A1HPGDMAPT
SCHEMBL5062988 0.70 KMT2A (0.55) KDM4EKMT2AALDH1A1HPGDMAPT

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
WO-2008063668-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO disclosed