SCHEMBL9566829

SCHEMBL9566829

O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)c1ccc(COCc2ccccc2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 10/20 0.58
CXCR1 P25024 7/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
LMNA P02545 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PRKAA2 P54646 1/20 0.50
P4HTM Q9NXG6 1/20 0.50
KCNQ3 O43525 1/20 0.49
KCNQ2 O43526 1/20 0.49
KCNE1 P15382 1/20 0.49
KCNQ1 P51787 1/20 0.49
HDAC1 Q13547 1/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48

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
SCHEMBL9566738 0.95 CXCR2 (0.64) CXCR2CXCR1MEN1KMT2ALMNA
SCHEMBL9566756 0.87 RAB9A (0.57) CXCR2CXCR1MEN1KMT2ALMNA
SCHEMBL9519589 0.86 CXCR2 (0.54) CXCR2CXCR1MEN1KMT2ALMNA
SCHEMBL9566753 0.86 CXCR2 (0.54) CXCR2CXCR1MEN1KMT2ALMNA
SCHEMBL9566799 0.85 CXCR2 (0.53) CXCR2CXCR1MEN1KMT2ALMNA
SCHEMBL9566861 0.85 P4HTM (0.61) MEN1KMT2ALMNARAB9ANPC1
SCHEMBL9566871 0.84 RAB9A (0.53) CXCR2CXCR1MEN1KMT2ALMNA
SCHEMBL9566811 0.84 CXCR2 (0.57) CXCR2CXCR1MEN1KMT2ALMNA
SCHEMBL9566848 0.84 P4HTM (0.55) CXCR2CXCR1MEN1KMT2ARXFP1
SCHEMBL12020864 0.83 MEN1 (0.70) CXCR2CXCR1MEN1KMT2ALMNA

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