SCHEMBL7654965

SCHEMBL7654965

O=C(NCc1ccccn1)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.65
MEN1 O00255 4/20 0.65
LMNA P02545 2/20 0.65
NPC1 O15118 4/20 0.63
RAB9A P51151 3/20 0.63
POLB P06746 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.60
HPGD P15428 2/20 0.60
ALDH1A1 P00352 2/20 0.60
NAMPT P43490 2/20 0.59
MAPK14 Q16539 1/20 0.59
CA2 P00918 1/20 0.55
GAA P10253 1/20 0.54
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL7656460 0.82 POLB (0.60) KMT2AMEN1LMNARAB9APOLB
SCHEMBL166484 0.80 LMNA (0.82) KMT2AMEN1LMNANPC1RAB9A
Hydrochloric Acid SCHEMBL27843329 0.79 LMNA (0.80) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL1393086 0.78 LMNA (1.00) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL19473341 0.77 NPC1 (0.68) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL21768049 0.76 LMNA (0.76) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL6629782 0.76 MAPK14 (0.70) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL4893253 0.76 NPC1 (0.71) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL17131896 0.75 ALDH1A1 (1.00) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL18031536 0.75 LMNA (0.74) KMT2AMEN1LMNANPC1RAB9A

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
US-6407120-B1 ADMINISTERING PYRIDINYLACETAMIDE OR PHENYLACETAMIDE DERIVATIVE TO TREAT CARDIOVASCULAR, EATING, SEXUAL, BRAIN, NERVOUS SYSTEM, GASTROINTESTINAL, UROGENITAL, PSYCHOLOGICAL, AND RESPIRATORY SYSTEM DISORDERS PFIZER INC. 2002-06-18 US disclosed