SCHEMBL9566856

SCHEMBL9566856

COCc1ccc(C(=O)Nc2ccccc2F)cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 3/20 0.60
RAB9A P51151 8/20 0.59
NPC1 O15118 6/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
SENP7 Q9BQF6 3/20 0.59
CASP3 P42574 2/20 0.59
KDM4E B2RXH2 2/20 0.59
AHR P35869 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.54
TAAR1 Q96RJ0 1/20 0.54
SENP8 Q96LD8 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
GLA P06280 1/20 0.51
HTT P42858 1/20 0.51
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
PKM P14618 1/20 0.48
APOBEC3A P31941 1/20 0.48
APOBEC3G Q9HC16 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
SCHEMBL9566899 0.88 P4HTM (0.57) P4HTMRAB9ANPC1MEN1KMT2A
SCHEMBL9566827 0.88 P4HTM (0.57) P4HTMRAB9ANPC1MEN1KMT2A
SCHEMBL9566822 0.87 MEN1 (0.74) P4HTMRAB9ANPC1MEN1KMT2A
SCHEMBL12020358 0.86 RAB9A (0.66) P4HTMRAB9ANPC1MEN1KMT2A
SCHEMBL9566783 0.84 RAB9A (0.63) P4HTMRAB9ANPC1MEN1KMT2A
SCHEMBL9566831 0.84 P4HTM (0.65) P4HTMRAB9ANPC1MEN1KMT2A
SCHEMBL9566842 0.84 SENP7 (0.53) P4HTMRAB9ANPC1MEN1KMT2A
SCHEMBL9566760 0.82 RAB9A (0.60) P4HTMRAB9ANPC1MEN1KMT2A
SCHEMBL9566902 0.80 CXCR2 (0.62) P4HTMRAB9ANPC1ALDH1A1
SCHEMBL12020466 0.79 NPC1 (0.56) P4HTMRAB9ANPC1MEN1KMT2A

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