SCHEMBL8616571

SCHEMBL8616571

Cc1ncoc1C(=O)c1ocnc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 9/20 0.49
LMNA P02545 5/20 0.49
HSD17B10 Q99714 5/20 0.49
TSHR P16473 2/20 0.49
CHRNA4 P43681 2/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA7 P36544 1/20 0.47
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
POLB P06746 3/20 0.45
GLA P06280 1/20 0.45
MAPK1 P28482 1/20 0.44
PKM P14618 3/20 0.43
TP53 P04637 1/20 0.43
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL354015 0.84
SCHEMBL8613762 0.84
SCHEMBL12230949 0.84
SCHEMBL1044178 0.82 ALDH1A1 (0.55) KMT2AMAPTALDH1A1LMNAHSD17B10
SCHEMBL2139234 0.82
Hydrochloric Acid SCHEMBL19119174 0.82 MAPT (0.47) KMT2AMAPTALDH1A1LMNAHSD17B10
SCHEMBL9051150 0.80 ALDH1A1 (0.40) KMT2AMAPTALDH1A1LMNAHSD17B10
SCHEMBL25139561 0.79 MAPT (0.45) KMT2AMAPTALDH1A1LMNAHSD17B10
SCHEMBL22952846 0.79 KMT2A (0.45) KMT2AMAPTALDH1A1LMNAHSD17B10
SCHEMBL7988106 0.79 KMT2A (0.57) KMT2AMAPTALDH1A1LMNAHSD17B10

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
US-5731335-A NERVOUS SYSTEM DISORDERS; STROKE; ANTIISCHEMIC AGENTS; COGNITION ACTIVATORS ASTRA AKTIEBOLAG (SE) 1998-03-24 US disclosed
US-5607956-A TREATMENT OF NEURODEGENERATIVE DISORDERS SUCH AS CEREBRAL ISCHEMIA, ALZHEIMER'S DISEASE ASTRA AKTIEBOLAG (SE) 1997-03-04 US disclosed
EP-0707584-A1 NOVEL (1-HETEROAZOLYL-1-HETEROCYCLYL)ALKANE DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE AGENTS Astra Aktiebolag (SE) 1996-04-24 EP disclosed
WO-1995001979-A1 NOVEL (1-HETEROAZOLYL-1-HETEROCYCLYL)ALKANE DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE AGENTS ASTRA AKTIEBOLAG (SE) 1995-01-19 WO disclosed