SCHEMBL6997742

SCHEMBL6997742

O=C(NCCc1ccccc1)OC1=Cc2ccncc2CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TAAR1 Q96RJ0 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
ROCK2 O75116 3/20 0.46
NAMPT P43490 2/20 0.44
KDM6B O15054 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
PRMT3 O60678 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
ROCK1 Q13464 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
SCHEMBL6999163 0.82 FAAH (0.57) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6996447 0.81 RAB9A (0.58) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6993282 0.77 ROCK2 (0.50) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL1568235 0.67 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL11040166 0.66 RAB9A (0.66) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2095490 0.66 TAAR1 (0.69) RAB9ANPC1SMN1; SMN2TAAR1GAA
SCHEMBL17673049 0.66 RAB9A (0.97) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL16494376 0.65 TAAR1 (0.55) RAB9ANPC1SMN1; SMN2TAAR1GAA
SCHEMBL9267271 0.65 TAAR1 (0.76) RAB9ANPC1SMN1; SMN2TAAR1MEN1
SCHEMBL2755877 0.65 HDAC2 (0.56) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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-1037633-B1 ANTIVIRAL COMPOUNDS IAF BIOCHEM INT (CA) 2003-09-10 EP claimed