SCHEMBL8616489

SCHEMBL8616489

C=C(c1cccn1C)c1cc2ccccc2n1C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.53
SLC9A1 P19634 1/20 0.46
MAPT P10636 2/20 0.44
DAO P14920 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
IDO1 P14902 1/20 0.39
PHGDH O43175 1/20 0.38

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
SCHEMBL3275631 0.88 MCL1 (0.65) MCL1SLC9A1MAPTDAOKMT2A
SCHEMBL3486848 0.80 MCL1 (0.79) MCL1SLC9A1MAPTDAOKMT2A
SCHEMBL3486847 0.78 MCL1 (0.56) MCL1SLC9A1MAPTDAOKMT2A
SCHEMBL7981184 0.76 MCL1 (0.62) MCL1SLC9A1MAPTDAOKMT2A
SCHEMBL8253276 0.76 MCL1 (0.68) MCL1SLC9A1MAPTDAOKMT2A
SCHEMBL8532366 0.75 MCL1 (0.53) MCL1SLC9A1MAPTDAOKMT2A
SCHEMBL14723647 0.72 MCL1 (0.57) MCL1SLC9A1MAPTDAOKMT2A
SCHEMBL15657021 0.71 MCL1 (0.70) MCL1SLC9A1MAPTDAOKMT2A
SCHEMBL29945775 0.71 MCL1 (0.70) MCL1SLC9A1MAPTDAOKMT2A
SCHEMBL16599480 0.71 MCL1 (0.76) MCL1SLC9A1MAPTDAOKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0707584-A1 NOVEL (1-HETEROAZOLYL-1-HETEROCYCLYL)ALKANE DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE AGENTS Astra Aktiebolag (SE) 1996-04-24 EP claimed
WO-1995001979-A1 NOVEL (1-HETEROAZOLYL-1-HETEROCYCLYL)ALKANE DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE AGENTS ASTRA AKTIEBOLAG (SE) 1995-01-19 WO claimed
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