SCHEMBL931617

SCHEMBL931617

Cc1cc(C(=N)c2cccc(Br)c2)cc(C)c1OC(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C1S P09871 1/20 0.41
PARP1 P09874 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
PPARA Q07869 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 2/20 0.33
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
PLAU P00749 1/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32

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
SCHEMBL931729 0.82 C1S (0.46) C1SPARP1RXFP1TSHRNPSR1
SCHEMBL932545 0.78 C1S (0.45) C1SPARP1TSHRNPSR1GAA
SCHEMBL933081 0.72 ALOX15 (0.47) C1SPARP1RXFP1NPSR1GAA
SCHEMBL4308571 0.71 CES2 (0.42) PARP1RXFP1TSHRNPSR1SMN1; SMN2
SCHEMBL2281307 0.71 SMN1; SMN2 (0.35) C1SPARP1RXFP1TSHRNPSR1
SCHEMBL932093 0.71 C1S (0.50) C1SPARP1TSHRNPSR1ALDH1A1
SCHEMBL3358604 0.71 MEN1 (0.42) ALDH1A1KDM4EKMT2A
SCHEMBL18540642 0.70 PRSS1 (0.49) C1SPARP1L3MBTL1MAPK1RAB9A
SCHEMBL18540679 0.69 C1S (0.55) C1SPARP1TSHRSMN1; SMN2GAA
SCHEMBL931895 0.69 C1S (0.41) C1SPARP1RXFP1TSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011002407-A1 NOVEL COMPOUNDS FOR TREATMENT OF NEURODEGENERATION ASSOCIATED WITH DISEASES, SUCH AS ALZHEIMER'S DISEASE OR DEMENTIA ASTRAZENECA AB (SE) 2011-01-06 WO disclosed
WO-2011002407-A1 NOVEL COMPOUNDS FOR TREATMENT OF NEURODEGENERATION ASSOCIATED WITH DISEASES, SUCH AS ALZHEIMER'S DISEASE OR DEMENTIA ASTRAZENECA AB (SE) 2011-01-06 WO disclosed