SCHEMBL9804085

SCHEMBL9804085

CCOc1ccc(N=C(Nc2ccc(OCC)cc2)c2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.68
SCN2A Q99250 1/20 0.68
SCN3A Q9NY46 1/20 0.68
ADRA2A P08913 3/20 0.64
NPC1 O15118 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
LMNA P02545 2/20 0.54
CYP1A2 P05177 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
RAB9A P51151 5/20 0.52
KDM4E B2RXH2 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HPGD P15428 2/20 0.52
MAPT P10636 5/20 0.51
MITF O75030 1/20 0.51
PAX8 Q06710 1/20 0.51
POLB P06746 2/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 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
SCHEMBL9804078 1.00 SCN1A (0.68) SCN1ASCN2ASCN3AADRA2ANPC1
SCHEMBL9806726 0.83 RAB9A (0.59) NPC1MEN1KMT2ALMNACYP1A2
SCHEMBL9806728 0.83 RAB9A (0.59) NPC1MEN1KMT2ALMNACYP1A2
Phenacaine SCHEMBL16070026 0.81 SCN1A (1.00) SCN1ASCN2ASCN3AADRA2AMEN1
Phenacaine SCHEMBL24365 0.81 SCN1A (1.00) SCN1ASCN2ASCN3AADRA2AMEN1
SCHEMBL12910330 0.80 GRIN2D (0.59) SCN1ASCN2ASCN3AADRA2ANPC1
Phenacaine SCHEMBL24364 0.80 SCN1A (0.97) SCN1ASCN2ASCN3AADRA2AMEN1
SCHEMBL9644601 0.79 RAB9A (0.68) NPC1MEN1KMT2ALMNACYP1A2
SCHEMBL9644606 0.79 RAB9A (0.68) NPC1MEN1KMT2ALMNACYP1A2
Phenacaine SCHEMBL30185782 0.79 SCN1A (0.94) SCN1ASCN2ASCN3AADRA2AMEN1

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-0153616-B1 HEAT-SENSITIVE RECORDING MATERIALS KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1991-04-03 EP disclosed
US-4652512-A DIAZONIUM COMPOUND KANZAKI PAPER MANUFACTURING COMPANY, LIMITED (JP) 1987-03-24 US disclosed
EP-0153616-A2 Heat-sensitive recording materials KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1985-09-04 EP disclosed