SCHEMBL8201203

SCHEMBL8201203

C=C(OCC)c1nc2scc(-c3cccnc3)c2c(=O)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.44
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 10/20 0.43
LMNA P02545 5/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 2/20 0.42
MMP2 P08253 2/20 0.42
MMP13 P45452 2/20 0.42
MMP10 P09238 1/20 0.42
MMP14 P50281 1/20 0.41
GPR35 Q9HC97 1/20 0.41
MEN1 O00255 2/20 0.41
PKM P14618 2/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
PSMD14 O00487 1/20 0.41
GAA P10253 1/20 0.41

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) KDM4EKMT2AALDH1A1LMNAMAPT
SCHEMBL688481 0.89 KDM4E (0.51) KDM4EKMT2AALDH1A1LMNAMAPT
SCHEMBL8201664 0.88 ALDH1A1 (0.53) KDM4EKMT2AALDH1A1LMNAMAPT
SCHEMBL8202655 0.84 CDC7 (0.38) KDM4EKMT2AALDH1A1LMNAMAPT
SCHEMBL8198105 0.82 SIRT5 (0.52) KDM4EKMT2AALDH1A1LMNAMAPT
SCHEMBL8197637 0.81 ALDH1A1 (0.63) KDM4EKMT2AALDH1A1LMNAMAPT
SCHEMBL8190630 0.80 ALDH1A1 (0.52) KDM4EKMT2AALDH1A1LMNAMAPT
SCHEMBL5062988 0.80 KMT2A (0.55) KDM4EKMT2AALDH1A1LMNAMAPT
SCHEMBL8188266 0.80 ALDH1A1 (0.41) KDM4EKMT2AALDH1A1LMNAMAPT
SCHEMBL8188111 0.80 TMIGD3 (0.59) KDM4EKMT2AALDH1A1MAPTPOLB

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