SCHEMBL9566842

SCHEMBL9566842

CCCCOCc1ccc(C(=O)Nc2ccccc2F)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SENP7 Q9BQF6 3/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
P4HTM Q9NXG6 3/20 0.53
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
CASP3 P42574 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TAAR1 Q96RJ0 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 2/20 0.50
PLK1 P53350 1/20 0.47
AHR P35869 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GLA P06280 1/20 0.46
HTT P42858 1/20 0.46
PTPN1 P18031 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL9566899 0.89 P4HTM (0.57) SENP7SENP8SENP6P4HTMRAB9A
SCHEMBL9566751 0.84 NPC1 (0.52) SENP7P4HTMRAB9ANPC1CASP3
SCHEMBL9566856 0.84 P4HTM (0.60) SENP7SENP8SENP6P4HTMRAB9A
SCHEMBL9566783 0.83 RAB9A (0.63) SENP7SENP8SENP6P4HTMRAB9A
SCHEMBL9566740 0.82 CXCR2 (0.54) P4HTMSMN1; SMN2ALDH1A1LMNA
SCHEMBL9566827 0.82 P4HTM (0.57) SENP7SENP8SENP6P4HTMRAB9A
SCHEMBL12020358 0.81 RAB9A (0.66) SENP7SENP8SENP6P4HTMRAB9A
SCHEMBL9566831 0.79 P4HTM (0.65) SENP7P4HTMRAB9ANPC1CASP3
SCHEMBL9566866 0.78 KDM4E (0.56) SENP7SENP8SENP6P4HTMRAB9A
SCHEMBL9566779 0.77 TP53 (0.55) P4HTMRAB9ANPC1SMN1; SMN2MEN1

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