SCHEMBL18821735

SCHEMBL18821735

CCOC(=O)c1ccc(N=Nc2ccc(N=Nc3ccccc3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.67
MAPT P10636 5/20 0.67
NPC1 O15118 4/20 0.67
CASP3 P42574 1/20 0.67
SENP8 Q96LD8 1/20 0.67
SENP7 Q9BQF6 1/20 0.67
SENP6 Q9GZR1 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
POLB P06746 1/20 0.61
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
SMN1; SMN2 Q16637 5/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
ESR1 P03372 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
ESR2 Q92731 1/20 0.58
CA14 Q9ULX7 1/20 0.58

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
SCHEMBL11888418 1.00 RAB9A (0.67) RAB9AMAPTNPC1CASP3SENP8
SCHEMBL3080728 0.93 MAPT (0.75) RAB9AMAPTNPC1CASP3SENP8
SCHEMBL3080726 0.93 MAPT (0.75) RAB9AMAPTNPC1CASP3SENP8
SCHEMBL5359003 0.90 MAPT (0.67) RAB9AMAPTNPC1CASP3SENP8
SCHEMBL10817298 0.88 RAB9A (0.69) RAB9AMAPTNPC1CASP3SENP8
SCHEMBL31218179 0.86 ESR1 (0.79) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL10025042 0.86 ESR1 (0.79) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL18821709 0.86 MAPT (0.67) RAB9AMAPTNPC1CASP3SENP8
Benzene SCHEMBL27873122 0.85 CA1 (0.76) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL11210774 0.85 LMNA (0.80) RAB9AMAPTNPC1POLBMEN1

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-20170121605-A1 COMPOSITION AND POLARIZING FILM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-04 US disclosed