SCHEMBL9301901

SCHEMBL9301901

CCCCCCCCCCN1CCN(NS(=O)(=O)c2ccc(Cn3c(C)nc4ccccc43)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.47
GALR3 O60755 2/20 0.46
NR2F2 P24468 2/20 0.46
RAB9A P51151 1/20 0.46
AGTR1 P30556 2/20 0.46
AGTR2 P50052 2/20 0.46
TNF P01375 1/20 0.46
ALDH1A1 P00352 2/20 0.45
P2RX7 Q99572 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
EDNRA P25101 1/20 0.43
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
KCNH2 Q12809 3/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL9303064 0.82 PTAFR (0.52) PTAFRGALR3NR2F2RAB9ATNF
SCHEMBL9302805 0.81 TNF (0.53) PTAFRGALR3NR2F2RAB9AAGTR1
SCHEMBL9302266 0.79 PTAFR (0.55) PTAFRGALR3NR2F2RAB9ATNF
SCHEMBL9302451 0.79 AGTR2 (0.47) PTAFRGALR3NR2F2RAB9AAGTR1
SCHEMBL9302296 0.77 PTAFR (0.52) PTAFRGALR3NR2F2RAB9AAGTR1
SCHEMBL8560863 0.76 GALR3 (0.50) PTAFRGALR3NR2F2RAB9AAGTR1
SCHEMBL8567343 0.75 GALR3 (0.48) PTAFRGALR3NR2F2RAB9AAGTR1
SCHEMBL9303050 0.73 PTAFR (0.59) PTAFRGALR3NR2F2RAB9ATNF
SCHEMBL8127579 0.72 HDAC1 (0.51) PTAFRGALR3NR2F2RAB9AAGTR1
SCHEMBL9302155 0.72 PTAFR (0.58) PTAFRGALR3NR2F2RAB9ATNF

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
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO claimed
US-5314880-A Platelet activating factor antagonist BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-05-24 US disclosed
EP-0468971-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-02-05 EP disclosed
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO disclosed