SCHEMBL4593624

SCHEMBL4593624

CCOc1cc(CN(c2nc3c(NC(=O)COC)cccc3o2)C2CCNCC2)cc(OCC)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TP53 P04637 3/20 0.34
MAPT P10636 3/20 0.34
NPC1 O15118 2/20 0.34
MDM4 O15151 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
MDM2 Q00987 1/20 0.34
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
USP2 O75604 1/20 0.32

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
SCHEMBL4593584 0.90 SSTR5 (0.35) SSTR5SMN1; SMN2MEN1KMT2ATP53
SCHEMBL4594262 0.88 IRAK4 (0.35) SSTR5SMN1; SMN2MEN1KMT2ATP53
SCHEMBL4594200 0.85 SSTR5 (0.37) SSTR5SMN1; SMN2LMNAHTTKCNH2
SCHEMBL4593471 0.84 SSTR5 (0.38) SSTR5SMN1; SMN2LMNAKCNH2TACR1
SCHEMBL4593298 0.81 HTR3A (0.36) SSTR5SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4594926 0.81 SSTR5 (0.37) SSTR5KCNH2HTR2ATACR1
SCHEMBL4594440 0.81 HTR3A (0.37) SSTR5SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4593861 0.79 SGMS2 (0.40) SMN1; SMN2MAPTNPC1TSHRPOLB
SCHEMBL4594514 0.78 SSTR5 (0.46) SSTR5MAPTNPC1KCNH2RAB9A
SCHEMBL4593756 0.78 SSTR5 (0.47) SSTR5SMN1; SMN2TP53MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924579-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP claimed
WO-2007025897-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO claimed
EP-1924579-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025897-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed