SCHEMBL6686949

SCHEMBL6686949

OCCNCc1c[nH]c(Cc2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
VSIR Q9H7M9 7/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
PDCD1 Q15116 6/20 0.38
CD274 Q9NZQ7 6/20 0.38
HRH4 Q9H3N8 1/20 0.38
LMNA P02545 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL9006306 0.80 TDP1 (0.44) TAAR1KMT2ATDP1
SCHEMBL4450908 0.80 NR1H2 (0.45) TAAR1KMT2A
SCHEMBL1723556 0.78 TAAR1 (0.48) TAAR1MEN1KMT2A
SCHEMBL4081720 0.73 TAAR1 (0.41) TAAR1MEN1KMT2A
SCHEMBL28356909 0.73 KCNH2 (0.50) TAAR1KMT2A
SCHEMBL7665114 0.71 TAAR1 (0.42) SMN1; SMN2TAAR1KMT2A
SCHEMBL19401259 0.70 MEN1 (0.73) SMN1; SMN2PDCD1CD274LMNAMEN1
SCHEMBL177039 0.70 MEN1 (0.73) SMN1; SMN2PDCD1CD274LMNAMEN1
SCHEMBL725860 0.70 TAAR1 (0.41) TAAR1KMT2A
SCHEMBL8754414 0.70 NR1H2 (0.47) TAAR1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483257-A1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY Pfizer Limited (GB) 2004-12-08 EP disclosed
WO-2003076427-A1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2003-09-18 WO disclosed