SCHEMBL8308639

SCHEMBL8308639

Cc1nc(-c2nc(-c3ccc(Cl)cc3)c(CCCC(=O)NCCCl)o2)c[nH]1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
POLB P06746 1/20 0.35
TP53 P04637 3/20 0.33
THRB P10828 2/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC2 Q92769 1/20 0.32
JAK2 O60674 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL8309374 0.94 MAPT (0.35) MAPTTP53THRBALDH1A1SMN1; SMN2
SCHEMBL8303845 0.86 RXRA (0.41) MAPTALDH1A1KDM4EHTT
SCHEMBL8305905 0.81 RXRA (0.45) MAPTALDH1A1KDM4EHTT
SCHEMBL4442406 0.81 SIRT2 (0.38) MAPTALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL8303347 0.81 NR4A2 (0.35) MAPTALDH1A1KDM4ELMNAHSD17B10
SCHEMBL4563793 0.80 SIRT2 (0.35) MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL8304088 0.80 HSD17B10 (0.40) MAPTPOLBTP53ALDH1A1SMN1; SMN2
SCHEMBL4442084 0.80 SIRT2 (0.34) ALDH1A1SMN1; SMN2
SCHEMBL7514117 0.80 SIRT2 (0.34) ALDH1A1SMN1; SMN2
SCHEMBL8303146 0.79 CRHR1 (0.31)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891340-A1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1999-01-20 EP disclosed
WO-1997036882-A1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-09 WO disclosed