SCHEMBL27336403

SCHEMBL27336403

N#Cc1ccc(OC(N)=O)c(C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.40
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
STS P08842 1/20 0.39
NCEH1 Q6PIU2 2/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
USP30 Q70CQ3 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
IMPDH2 P12268 1/20 0.36
IMPDH1 P20839 1/20 0.36
HPGD P15428 1/20 0.35
PRSS1 P07477 1/20 0.35
ACR P10323 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
LRRK2 Q5S007 1/20 0.35

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
SCHEMBL7512633 0.83 CXCR1 (0.40) PTGDR2PARP15PARP10PARP2NCEH1
SCHEMBL3856445 0.81 NOS2 (0.45) PTGDR2ALDH1A1KDM4EUSP2MEN1
SCHEMBL28738821 0.81 AAK1 (0.42) PTGDR2ALDH1A1KDM4EUSP2MEN1
SCHEMBL28305946 0.81 FFAR1 (0.43) ALDH1A1KDM4EUSP2MEN1KMT2A
SCHEMBL28209125 0.81 USP30 (0.53) PTGDR2PARP15PARP10PARP2NCEH1
SCHEMBL28378185 0.80 NCEH1 (0.38) PTGDR2STSNCEH1ALDH1A1KDM4E
SCHEMBL13762839 0.79 ALDH1A1 (0.42) PTGDR2NCEH1ALDH1A1KDM4EUSP2
SCHEMBL27183137 0.77 PTGDR2 (0.38) PTGDR2NCEH1ALDH1A1KDM4E
SCHEMBL11824600 0.77 SMN1; SMN2 (0.54) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL29158320 0.76 VCAM1 (0.53) ALDH1A1KDM4EMEN1KMT2A

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-1041948-A New this glucosides of B-D-phenyl sulfo-and preparation method thereof and therepic use FOURNIER INNOVATION SYNERGIE (FR) 1990-05-09 CN claimed