SCHEMBL9566747

SCHEMBL9566747

CCCC(=O)OCc1ccc(C(=O)Nc2ccc(OCC(F)(F)C(F)(F)C(F)(F)F)cc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 3/20 0.44
MAPT P10636 2/20 0.41
CXCR2 P25025 6/20 0.41
CXCR1 P25024 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 2/20 0.39
STAT3 P40763 1/20 0.39
NPC1 O15118 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL9566844 0.91 SMN1; SMN2 (0.47) P4HTMMAPTCXCR2CXCR1SMN1; SMN2
SCHEMBL9566771 0.89 P4HTM (0.44) P4HTMMAPTCXCR2CXCR1SMN1; SMN2
SCHEMBL9566765 0.87 P4HTM (0.49) P4HTMMAPTCXCR2CXCR1SMN1; SMN2
SCHEMBL9566768 0.86 P4HTM (0.46) P4HTMMAPTCXCR2CXCR1SMN1; SMN2
SCHEMBL9566780 0.85 KMT2A (0.45) P4HTMMAPTCXCR2CXCR1SMN1; SMN2
SCHEMBL9566832 0.83 ABL1 (0.48) P4HTMCXCR2CXCR1SMN1; SMN2KMT2A
SCHEMBL9566855 0.80 RAB9A (0.50) P4HTMMAPTCXCR2CXCR1SMN1; SMN2
SCHEMBL9566814 0.78 P4HTM (0.47) P4HTMMAPTCXCR2SMN1; SMN2KMT2A
SCHEMBL9566782 0.78 P4HTM (0.55) P4HTMMAPTCXCR2CXCR1SMN1; SMN2
SCHEMBL9566787 0.76 P4HTM (0.53) P4HTMMAPTSMN1; SMN2KMT2AHTT

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