SCHEMBL7067927

SCHEMBL7067927

O=C1c2cccc(NCCc3ccc(O)cc3)c2C(=O)c2cccc(NCCc3ccc(O)cc3)c21

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.78
NPC1 O15118 1/20 0.78
MTOR P42345 1/20 0.78
SIRT2 Q8IXJ6 1/20 0.78
NSD2 O96028 2/20 0.54
FGB P02675 1/20 0.54
MMP14 P50281 1/20 0.54
MAPT P10636 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 3/20 0.49
POLB P06746 2/20 0.49
BLM P54132 2/20 0.49
EGFR P00533 2/20 0.49
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
RAD52 P43351 1/20 0.49

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
SCHEMBL8650828 0.96 RAB9A (0.82) RAB9ANPC1MTORSIRT2NSD2
SCHEMBL7064269 0.95 RAB9A (0.72) RAB9ANPC1MTORSIRT2NSD2
SCHEMBL30513725 0.88 NPC1 (1.00) RAB9ANPC1MTORSIRT2NSD2
SCHEMBL29895852 0.88 NPC1 (1.00) RAB9ANPC1MTORSIRT2NSD2
SCHEMBL3886741 0.88 NPC1 (1.00) RAB9ANPC1MTORSIRT2NSD2
SCHEMBL6366938 0.86 RAB9A (0.61) RAB9ANPC1MTORSIRT2NSD2
SCHEMBL340118 0.83 NPC1 (0.63) RAB9ANPC1MTORSIRT2MEN1
SCHEMBL18134578 0.82 NPC1 (0.87) RAB9ANPC1MTORSIRT2NSD2
SCHEMBL10582058 0.81 RAB9A (0.60) RAB9ANPC1MTORSIRT2NSD2
SCHEMBL9357997 0.77 NSD2 (0.77) RAB9ANPC1MTORSIRT2NSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0797638-B1 ERASABLE INK COMPOSITION AND MARKING INSTRUMENT CONTAINING SAME BIC CORP (US) 2003-06-04 EP disclosed
EP-0797638-A1 ERASABLE INK COMPOSITION AND MARKING INSTRUMENT CONTAINING SAME BIC CORPORATION (US) 1997-10-01 EP disclosed
WO-1996018697-A1 ERASABLE INK COMPOSITION AND MARKING INSTRUMENT CONTAINING SAME BIC CORPORATION (US) 1996-06-20 WO disclosed