SCHEMBL8562576

SCHEMBL8562576

O=C(OCc1ccccc1)N1C=C2OC2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
HTR2C P28335 1/20 0.46
CYP2C19 P33261 1/20 0.45
P2RX4 Q99571 2/20 0.45
P2RX1 P51575 1/20 0.45
P2RX3 P56373 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 3/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
MAPK1 P28482 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
SCHEMBL6819973 0.76 SMN1; SMN2 (0.48) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL14778992 0.74 HTR2C (0.51) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL19942091 0.72 HTR2C (0.46) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL4504921 0.72 SMN1; SMN2 (0.60) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL10563196 0.71 SMN1; SMN2 (0.49) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL3058629 0.71 SMN1; SMN2 (0.46) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL13961998 0.71 MEN1 (0.60) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL505491 0.71 MEN1 (0.60) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL10156508 0.71 MEN1 (0.60) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL12347293 0.70 MEN1 (0.56) KMT2AMEN1NPSR1SMN1; SMN2NPC1

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-2892899-B1 IMIDAZOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL MYERS SQUIBB CO (US) 2018-03-21 EP disclosed
US-5837868-A REACTION OF DIHYDROXY OLEFINS IN A MULTISTAGE PROCESS ARYL METHYLAMINE TO FORM PYRROLIDINE INTERMEDIATE ABBOTT LABORATORIES (US) 1998-11-17 US disclosed
US-5703244-A CYCLIZATION OF DIHYDROXY OLEFINS WITH TARTRATE ESTER IN PRESENCE OF TITANIUM ISOPROPOXIDE AND TERT-BUTYL HYDROPEROXIDE ABBOTT LABORATORIES (US) 1997-12-30 US disclosed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 WO disclosed