SCHEMBL9566822

SCHEMBL9566822

COCc1ccc(C(=O)Nc2ccccc2OC)cn1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.74
KMT2A Q03164 2/20 0.74
AHR P35869 1/20 0.74
P4HTM Q9NXG6 2/20 0.69
MAPT P10636 2/20 0.66
KDM4E B2RXH2 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C19 P33261 1/20 0.60
MLYCD O95822 1/20 0.55
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
PABPC1 P11940 1/20 0.53
APOBEC3A P31941 1/20 0.53
EIF4H Q15056 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
HPGD P15428 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL9566794 0.90 MEN1 (0.74) MEN1KMT2AAHRP4HTMMAPT
SCHEMBL9566876 0.89 MEN1 (0.69) MEN1KMT2AAHRP4HTMMAPT
SCHEMBL9566763 0.89 AHR (0.69) MEN1KMT2AAHRP4HTMMAPT
SCHEMBL9566856 0.87 P4HTM (0.60) MEN1KMT2AAHRP4HTMMAPT
SCHEMBL9566749 0.87 KMT2A (0.66) MEN1KMT2AAHRP4HTMMAPT
SCHEMBL9566729 0.87 KMT2A (0.66) MEN1KMT2AAHRP4HTMMAPT
SCHEMBL9566733 0.87 MEN1 (0.66) MEN1KMT2AAHRP4HTMMAPT
SCHEMBL9566760 0.84 RAB9A (0.60) MEN1KMT2AAHRP4HTMKDM4E
SCHEMBL3795003 0.83 MEN1 (0.80) MEN1KMT2AAHRP4HTMMAPT
SCHEMBL8716505 0.82 KMT2A (0.65) MEN1KMT2AAHRMAPTKDM4E

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-0533130-A1 2-Hydroxymethylpyridines, the corresponding pyridine-N-oxides and derivatives thereof, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-03-24 EP disclosed