SCHEMBL28045905

SCHEMBL28045905

NNC(=O)C1C=CC=CC=C1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
THPO P40225 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL4252942 0.70 GPR84 (0.31) ALDH1A1
SCHEMBL28180466 0.69
SCHEMBL28133663 0.66
SCHEMBL25992987 0.65 POLB (0.35)
SCHEMBL6278266 0.65
SCHEMBL22199743 0.64
SCHEMBL12870314 0.63 ALDH1A1 (0.33) CYP1A2TSHRALDH1A1
SCHEMBL29090490 0.61
SCHEMBL16349268 0.61
SCHEMBL19346720 0.59

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
CN-105283439-B The dibenzoylhydrazine of boracic 英特瑞克斯顿股份有限公司 2018-02-02 CN disclosed
CN-105283439-A BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP 2016-01-27 CN disclosed