SCHEMBL8201664

SCHEMBL8201664

C=C(OCC)c1nc2scc(-c3ccc(-c4ccccc4)cc3)c2c(=O)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
LMNA P02545 6/20 0.53
KDM4E B2RXH2 5/20 0.53
KMT2A Q03164 8/20 0.52
MAPT P10636 4/20 0.52
POLB P06746 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.50
MEN1 O00255 4/20 0.49
PSMD14 O00487 1/20 0.48
PKM P14618 1/20 0.48
HTT P42858 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAPK1 P28482 1/20 0.47
TNF P01375 1/20 0.46
NOD2 Q9HC29 1/20 0.46
NOD1 Q9Y239 1/20 0.46

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
SCHEMBL8195427 0.89 KDM4E (0.56) ALDH1A1LMNAKDM4EKMT2AMAPT
SCHEMBL8198105 0.88 SIRT5 (0.52) ALDH1A1LMNAKDM4EKMT2AMAPT
SCHEMBL688686 0.88 ALDH1A1 (0.55) ALDH1A1LMNAKDM4EKMT2AMAPT
SCHEMBL8201203 0.88 KDM4E (0.44) ALDH1A1LMNAKDM4EKMT2AMAPT
SCHEMBL688766 0.86 ALDH1A1 (0.57) ALDH1A1LMNAKDM4EKMT2AMAPT
SCHEMBL8190630 0.84 ALDH1A1 (0.52) ALDH1A1LMNAKDM4EKMT2AMAPT
SCHEMBL8195420 0.84 KMT2A (0.60) ALDH1A1LMNAKDM4EKMT2AMAPT
SCHEMBL8197637 0.83 ALDH1A1 (0.63) ALDH1A1LMNAKDM4EKMT2AMAPT
SCHEMBL8188266 0.81 ALDH1A1 (0.41) ALDH1A1LMNAKDM4EKMT2AMAPT
SCHEMBL8188111 0.81 TMIGD3 (0.59) ALDH1A1KDM4EKMT2AMAPTPOLB

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