SCHEMBL9667255

SCHEMBL9667255

CC(O)Cc1ccccc1COC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.33

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
SCHEMBL9766635 0.84 APAF1 (0.46) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL29501710 0.84 SMN1; SMN2 (0.48) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL19383017 0.80 CYP1A2 (0.43) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL17208244 0.78 CYP1A2 (0.42) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL29029888 0.78 KDM4E (0.39) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL5988255 0.78 GABRA1 (0.46) LMNAKDM4EALDH1A1
SCHEMBL1043545 0.77 CYP4F2 (0.46) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL4618502 0.77 SMN1; SMN2 (0.51) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL29029883 0.77 ALDH1A1 (0.42) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL9667253 0.76 EPHX1 (0.42) ALDH1A1KMT2A

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
EP-0463998-A2 Immunological detection of triasulfuron CIBA-GEIGY AG (CH) 1992-01-02 — — EP disclosed
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