SCHEMBL8650828

SCHEMBL8650828

O=C1c2ccccc2C(=O)c2c(NCCc3ccc(O)cc3)cccc21

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.82
NPC1 O15118 2/20 0.82
MTOR P42345 1/20 0.82
SIRT2 Q8IXJ6 1/20 0.82
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
MAPT P10636 5/20 0.55
POLB P06746 4/20 0.55
MAPK1 P28482 3/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
BLM P54132 3/20 0.55
LMNA P02545 3/20 0.55
NPSR1 Q6W5P4 3/20 0.55
EGFR P00533 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 2/20 0.55
RECQL P46063 2/20 0.55
ALDH1A1 P00352 2/20 0.55
RAD52 P43351 2/20 0.55
NSD2 O96028 3/20 0.50

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
SCHEMBL7067927 0.96 RAB9A (0.78) RAB9ANPC1MTORSIRT2MEN1
SCHEMBL7064269 0.94 RAB9A (0.72) RAB9ANPC1MTORSIRT2MEN1
SCHEMBL3886741 0.90 NPC1 (1.00) RAB9ANPC1MTORSIRT2MEN1
SCHEMBL30513725 0.90 NPC1 (1.00) RAB9ANPC1MTORSIRT2MEN1
SCHEMBL29895852 0.90 NPC1 (1.00) RAB9ANPC1MTORSIRT2MEN1
SCHEMBL10582058 0.86 RAB9A (0.60) RAB9ANPC1MTORSIRT2MEN1
SCHEMBL6366938 0.85 RAB9A (0.61) RAB9ANPC1MTORSIRT2MEN1
SCHEMBL18134578 0.84 NPC1 (0.87) RAB9ANPC1MTORSIRT2MEN1
SCHEMBL340118 0.80 NPC1 (0.63) RAB9ANPC1MTORSIRT2MEN1
SCHEMBL4732627 0.79 MEN1 (0.72) RAB9ANPC1MTORSIRT2MEN1

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-5852072-A Erasable ink composition containing a waterborne polyurethane urea BIC CORPORATION (US) 1998-12-22 US disclosed