SCHEMBL9999676

SCHEMBL9999676

N=C(c1ccccc1)C1C=CC=CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.40
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
F12 P00748 1/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
PKM P14618 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
BLM P54132 1/20 0.33
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
C1S P09871 1/20 0.32
PRSS3 P35030 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 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
SCHEMBL20343231 0.78 GPR84 (0.36) GPR84SIGMAR1
SCHEMBL1728575 0.78 GPR84 (0.43) GPR84BLMRECQL
SCHEMBL17454825 0.76 GPR84 (0.37) GPR84
SCHEMBL24465859 0.74 GPR84 (0.38) GPR84KMT2A
SCHEMBL21483686 0.73 GPR84 (0.33) GPR84
SCHEMBL18071905 0.71 GPR84 (0.42) GPR84
SCHEMBL11422590 0.71 GPR84 (0.42) GPR84F2KMT2A
SCHEMBL20311966 0.70 SIGMAR1 (0.38) SIGMAR1
SCHEMBL23731501 0.70 NFKB1 (0.33) GPR84F2F10F12F7
SCHEMBL17774475 0.70 GPR84 (0.39) GPR84

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
WO-2012011510-A1 ORGANIC EL ELEMENT 住友化学株式会社 (JP) 2012-01-26 WO disclosed