SCHEMBL931729

SCHEMBL931729

COc1c(C)cc(C(=N)c2cccc(Br)c2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C1S P09871 1/20 0.46
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PARP1 P09874 1/20 0.39
KDM4E B2RXH2 2/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36

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
SCHEMBL933081 0.83 ALOX15 (0.47) C1SNPC1RAB9APARP1KDM4E
SCHEMBL931617 0.82 C1S (0.41) C1SNPC1RAB9APARP1KDM4E
SCHEMBL18540642 0.81 PRSS1 (0.49) C1SNPC1RAB9APARP1LMNA
SCHEMBL931895 0.79 C1S (0.41) C1SNPC1RAB9APARP1KDM4E
SCHEMBL931923 0.78 C1S (0.49) C1SNPC1RAB9APARP1KDM4E
SCHEMBL932093 0.76 C1S (0.50) C1SNPC1RAB9APARP1HPGD
SCHEMBL27018623 0.74 C1S (0.57) C1SNPC1RAB9APARP1KDM4E
SCHEMBL18540679 0.73 C1S (0.55) C1SNPC1PARP1LMNAHPGD
Hydrochloric Acid SCHEMBL1784330 0.73 C1S (0.55) C1SNPC1RAB9APARP1KDM4E
SCHEMBL18540697 0.71 C1S (0.57) C1SNPC1RAB9APARP1KDM4E

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