SCHEMBL9566768

SCHEMBL9566768

COCc1ccc(C(=O)Nc2ccc(OCC(F)(F)C(F)(F)C(F)(F)F)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CXCR1 P25024 2/20 0.42
CXCR2 P25025 2/20 0.42
RAB9A P51151 2/20 0.42
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
ABL1 P00519 3/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL9566765 0.90 P4HTM (0.49) P4HTMSMN1; SMN2KMT2AHTTNPC1
SCHEMBL9566780 0.90 KMT2A (0.45) P4HTMSMN1; SMN2KMT2AHTTNPC1
SCHEMBL9566771 0.90 P4HTM (0.44) P4HTMSMN1; SMN2KMT2AHTTNPC1
SCHEMBL9566891 0.89 P4HTM (0.49) P4HTMSMN1; SMN2KMT2AHTTNPC1
SCHEMBL9566832 0.88 ABL1 (0.48) P4HTMSMN1; SMN2KMT2AHTTNPC1
SCHEMBL9566747 0.86 P4HTM (0.44) P4HTMSMN1; SMN2KMT2AHTTNPC1
SCHEMBL9566855 0.85 RAB9A (0.50) P4HTMSMN1; SMN2KMT2AHTTNPC1
SCHEMBL9566897 0.82 P4HTM (0.66) P4HTMSMN1; SMN2KMT2ANPC1KDM4E
SCHEMBL9566902 0.80 CXCR2 (0.62) P4HTMNPC1ALDH1A1CXCR1CXCR2
SCHEMBL9566811 0.79 CXCR2 (0.57) P4HTMKMT2ANPC1ALDH1A1CXCR1

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