SCHEMBL9566855

SCHEMBL9566855

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
RXFP1 Q9HBX9 2/20 0.45
LMNA P02545 2/20 0.45
CXCR2 P25025 3/20 0.45
CXCR1 P25024 2/20 0.45
P4HTM Q9NXG6 2/20 0.42
MAPT P10636 2/20 0.42
NR1H4 Q96RI1 1/20 0.41
PRKAA2 P54646 1/20 0.41
HTT P42858 1/20 0.41
CASP3 P42574 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL9566871 0.90 RAB9A (0.53) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL9566765 0.87 P4HTM (0.49) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL9566768 0.85 P4HTM (0.46) RAB9ANPC1SMN1; SMN2KMT2ALMNA
SCHEMBL9566832 0.84 ABL1 (0.48) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL9566780 0.83 KMT2A (0.45) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL9566771 0.83 P4HTM (0.44) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL9566861 0.83 P4HTM (0.61) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL9566756 0.82 RAB9A (0.57) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL9566738 0.82 CXCR2 (0.64) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL9566829 0.81 CXCR2 (0.58) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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