SCHEMBL9566871

SCHEMBL9566871

O=C(Nc1ccc(OCC(F)(F)F)cc1)c1ccc(COCc2ccccc2)nc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
RXFP1 Q9HBX9 2/20 0.48
LMNA P02545 2/20 0.48
CXCR2 P25025 2/20 0.48
CXCR1 P25024 1/20 0.48
MAPT P10636 2/20 0.46
P4HTM Q9NXG6 2/20 0.45
SCN9A Q15858 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL9566855 0.90 RAB9A (0.50) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL9566787 0.86 P4HTM (0.53) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL9566861 0.86 P4HTM (0.61) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL9566756 0.86 RAB9A (0.57) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL9566738 0.85 CXCR2 (0.64) RAB9ANPC1MEN1KMT2ARXFP1
SCHEMBL9566829 0.84 CXCR2 (0.58) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL9517172 0.84 BCL2L1 (0.50) P4HTMSCN9A
SCHEMBL9566891 0.84 P4HTM (0.49) NPC1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL9566848 0.83 P4HTM (0.55) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL9566862 0.82 ABL1 (0.51) SMN1; SMN2MEN1KMT2ALMNAP4HTM

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