SCHEMBL9566733

SCHEMBL9566733

COc1ccccc1NC(=O)c1ccc(COC(=O)C(C)C)nc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
AHR P35869 1/20 0.66
SMN1; SMN2 Q16637 2/20 0.62
ALDH1A1 P00352 1/20 0.62
HTT P42858 1/20 0.62
P4HTM Q9NXG6 2/20 0.62
MAPT P10636 2/20 0.56
KDM4E B2RXH2 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
MLYCD O95822 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
PABPC1 P11940 1/20 0.48
APOBEC3A P31941 1/20 0.48
EIF4H Q15056 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
CASP3 P42574 1/20 0.47

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
SCHEMBL9566876 0.88 MEN1 (0.69) MEN1KMT2AAHRSMN1; SMN2ALDH1A1
SCHEMBL9566822 0.87 MEN1 (0.74) MEN1KMT2AAHRP4HTMMAPT
SCHEMBL9566729 0.86 KMT2A (0.66) MEN1KMT2AAHRSMN1; SMN2ALDH1A1
SCHEMBL9566794 0.84 MEN1 (0.74) MEN1KMT2AAHRALDH1A1P4HTM
SCHEMBL9566763 0.83 AHR (0.69) MEN1KMT2AAHRSMN1; SMN2P4HTM
SCHEMBL9566749 0.81 KMT2A (0.66) MEN1KMT2AAHRSMN1; SMN2P4HTM
SCHEMBL9566759 0.80 CXCR2 (0.55) ALDH1A1P4HTMNPC1RAB9A
SCHEMBL3795003 0.78 MEN1 (0.80) MEN1KMT2AAHRSMN1; SMN2ALDH1A1
SCHEMBL9566745 0.78 P4HTM (0.53) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL6927927 0.77 MEN1 (0.66) MEN1KMT2AAHRSMN1; SMN2ALDH1A1

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