SCHEMBL28878992

SCHEMBL28878992

CCCCCCCCCCCCCCCCCCc1ccc2[nH]c(CCCCCCCCCCCCCCCCCC)nc2c1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
S1PR4 O95977 1/20 0.48
S1PR1 P21453 1/20 0.48
S1PR5 Q9H228 1/20 0.48
MAPT P10636 2/20 0.48
PKM P14618 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GPR84 Q9NQS5 4/20 0.46

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
SCHEMBL12348255 0.95 S1PR4 (0.49) POLBS1PR4S1PR1S1PR5MAPT
SCHEMBL26554639 0.93 TLR8 (0.52) S1PR4S1PR1S1PR5MAPTPKM
SCHEMBL12348250 0.91 S1PR4 (0.45) POLBS1PR4S1PR1S1PR5
SCHEMBL28878987 0.88 S1PR4 (0.61) S1PR4S1PR1S1PR5MAPTPKM
SCHEMBL8620324 0.86 GAA (0.55) MAPTPKMKDM4ETDP1
SCHEMBL8594366 0.86 POLB (0.51) POLBMAPTPKMKMT2AKDM4E
SCHEMBL9721038 0.85 KMT2A (0.60) POLBMAPTPKMKMT2AKDM4E
SCHEMBL2947741 0.85 KMT2A (0.60) POLBMAPTPKMKMT2AKDM4E
SCHEMBL9721008 0.85 KMT2A (0.60) POLBMAPTPKMKMT2AKDM4E
SCHEMBL2679457 0.85 KMT2A (0.60) POLBMAPTPKMKMT2AKDM4E

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
CN-115279773-A Novel borate compound-containing compositions AGC株式会社 2022-11-01 CN disclosed