SCHEMBL11620697

SCHEMBL11620697

O=C(NCc1cccnc1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.77
L3MBTL1 Q9Y468 1/20 0.77
NAMPT P43490 8/20 0.76
LMNA P02545 1/20 0.72
NPC1 O15118 1/20 0.69
TSHR P16473 2/20 0.67
RAB9A P51151 1/20 0.62
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
DDR1 Q08345 1/20 0.61
DDR2 Q16832 1/20 0.61
KDR P35968 1/20 0.61

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
SCHEMBL29635847 0.87 NAMPT (1.00) NAMPT
SCHEMBL165336 0.87 NAMPT (1.00) NAMPT
SCHEMBL20379352 0.86 NAMPT (0.85) SMN1; SMN2L3MBTL1NAMPTMEN1KMT2A
SCHEMBL11616056 0.86 NAMPT (0.74) SMN1; SMN2NAMPTLMNAMEN1KMT2A
SCHEMBL11646536 0.86 MAPT (0.73) L3MBTL1NAMPTLMNAMEN1KMT2A
SCHEMBL23447441 0.85 MAPT (0.71) SMN1; SMN2L3MBTL1LMNARAB9AMEN1
SCHEMBL165841 0.84 NAMPT (1.00) NAMPT
SCHEMBL9191959 0.83 KMT2A (0.71) NPC1TSHRRAB9AMEN1KMT2A
SCHEMBL12335395 0.83 NAMPT (0.66) SMN1; SMN2L3MBTL1NAMPTLMNAMEN1
SCHEMBL18315964 0.83 NAMPT (0.72) NAMPT

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-4088766-A PRODUCTION OF PROSTAGLANDINS IN MAMMALS THE UPJOHN COMPANY (US) 1978-05-09 US claimed