SCHEMBL8946223

SCHEMBL8946223

CCOC(=O)CN(c1ccncc1F)n1c(C)cc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
BCHE P06276 3/20 0.44
SRD5A2 P31213 1/20 0.41
HSP90AA1 P07900 1/20 0.41
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
MAOB P27338 2/20 0.39
MMP13 P45452 4/20 0.39
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NMT1 P30419 1/20 0.37

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
SCHEMBL8946193 0.88 BCHE (0.46) MEN1KMT2ABCHESRD5A2HSP90AA1
SCHEMBL8946151 0.85 MEN1 (0.47) MEN1KMT2ANPC1RAB9ABCHE
SCHEMBL8946054 0.78 MEN1 (0.41) MEN1KMT2ASRD5A2HSP90AA1PPARG
SCHEMBL8946085 0.74 SLC6A2 (0.47) MEN1KMT2ABCHEALDH1A1
SCHEMBL7621050 0.73 BCHE (0.51) MEN1KMT2ANPC1RAB9ABCHE
Hydrochloric Acid SCHEMBL8544417 0.72 BCHE (0.51) MEN1KMT2ANPC1RAB9ABCHE
SCHEMBL8946048 0.71 BCHE (0.44) MEN1KMT2ANPC1RAB9ABCHE
SCHEMBL8946157 0.71 BCHE (0.55) MEN1KMT2ARAB9ABCHEALDH1A1
SCHEMBL7620277 0.70 BCHE (0.71) MEN1KMT2ANPC1RAB9ABCHE
SCHEMBL9200310 0.66 SRD5A2 (0.53) MEN1KMT2ANPC1RAB9ASRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0509400-B1 1-(Pyrido[3,4-b]-1,4-oxazinyl-4-yl)-1H-indoles, intermediates and a process for their preparation, and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1996-07-03 EP disclosed
US-5519131-A CYCLIZATION OF HYDROXYALKYLAMINO COMPOUND IN THE PRESENCE OF STRONG BASE SUCH AS SODIUM HYDRIDE OR POTASSIUM TERT-BUTOXIDE HOECHST MARION ROUSSEL INC. (US) 1996-05-21 US disclosed
US-5276156-A Antidepressants, treatment of Alzheimer*s disease HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-01-04 US disclosed
US-5214038-A Cholinesterase inhibitors, antidepressants, cognition activators HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-05-25 US disclosed
EP-0509400-A1 1-(Pyrido[3,4-b]-1,4-oxazinyl-4-yl)-1H-indoles, intermediates and a process for their preparation, and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-10-21 EP disclosed