SCHEMBL5042890

SCHEMBL5042890

CN1CCN(Cc2ccc(COc3ncc(-c4nc5ccccc5s4)c(CC#N)n3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 2/20 0.46
MAPK10 P53779 2/20 0.46
MAPK8 P45983 1/20 0.46
RAB9A P51151 7/20 0.41
NPC1 O15118 5/20 0.41
TP53 P04637 2/20 0.41
POLB P06746 2/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MGLL Q99685 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
S1PR2 O95136 3/20 0.38
GLA P06280 3/20 0.38
GAA P10253 3/20 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
SCHEMBL5033422 0.94 MAPK9 (0.47) MAPK9MAPK10MAPK8RAB9ANPC1
SCHEMBL5033477 0.90 MAPK9 (0.45) MAPK9MAPK10MAPK8RAB9ANPC1
SCHEMBL3747871 0.88 MAPK9 (0.42) MAPK9MAPK10MAPK8RAB9ANPC1
SCHEMBL4949235 0.84 RAB9A (0.44) MAPK9MAPK10MAPK8RAB9ANPC1
SCHEMBL4952153 0.83 MAPK8 (0.49) MAPK9MAPK10MAPK8RAB9ATP53
SCHEMBL4948638 0.81 MAPK9 (0.43) MAPK9MAPK10RAB9ANPC1KDM4E
SCHEMBL7704510 0.78 HTR3A (0.46) RAB9ANPC1TP53POLBKDM4E
SCHEMBL5596710 0.77 ALDH1A1 (0.47) MAPK9MAPK10RAB9ANPC1TP53
SCHEMBL4950093 0.77 LTA4H (0.50) MAPK9MAPK10MAPK8RAB9APOLB
SCHEMBL5103679 0.76 IRAK4 (0.46) POLBMGLLAURKAEGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501828-B1 PIPERAZINE BENZOTHIAZOLES AS AGENTS FOR THE TREATMENT OF CEREBRAL ISCHEMIC DISORDERS OR CNS DISORDERS SERONO LAB (CH) 2008-01-09 EP claimed