SCHEMBL7073970

SCHEMBL7073970

CC(c1ccccc1)c1nccc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.65
NCOA3 Q9Y6Q9 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CYP2A6 P11509 1/20 0.48
MAPT P10636 4/20 0.45
HSD17B10 Q99714 1/20 0.45
F12 P00748 1/20 0.44
PLAU P00749 1/20 0.44
NCF1 P14598 1/20 0.44
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
BACE1 P56817 1/20 0.44
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
CFTR P13569 1/20 0.40

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
SCHEMBL29223134 0.90 LMNA (0.54) LMNANCOA3NPC1RAB9ACYP2A6
SCHEMBL31732807 0.83 LMNA (0.59) LMNANCOA3NPC1RAB9ACYP2A6
SCHEMBL1102399 0.83 LMNA (0.59) LMNANCOA3NPC1RAB9ACYP2A6
SCHEMBL12915399 0.81 LMNA (0.69) LMNANCOA3NPC1RAB9ACYP2A6
Iodide SCHEMBL10722209 0.81 LMNA (0.58) LMNANCOA3NPC1RAB9ACYP2A6
SCHEMBL9565192 0.81 ADRA2A (0.55) LMNANCOA3NPC1RAB9ACYP2A6
SCHEMBL29449584 0.80 LMNA (0.58) LMNANCOA3NPC1RAB9ACYP2A6
SCHEMBL7381646 0.79 LMNA (0.65) LMNANCOA3NPC1RAB9ACYP2A6
SCHEMBL27895641 0.79 LMNA (0.65) LMNANCOA3NPC1RAB9ACYP2A6
SCHEMBL14463771 0.79 LMNA (1.00) LMNANCOA3NPC1RAB9ACYP2A6

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-0558392-A1 Process for the stabilisation of a charge transfer complex based on 7,7,8,8-tetracyanoquinodimethane COMPAGNIE EUROPEENNE DE COMPOSANTS ELECTRONIQUES LCC (FR) 1993-09-01 EP claimed
WO-2003059928-A1 POLYNUCLEOTIDE ENCODING AN AP-2 DOMAIN TRANSCRIPTION FACTOR AVESTHA GENGRAINE TECHNOLOGIES PVT. LTD. (IN) 2003-07-24 WO disclosed
EP-0558392-A1 Process for the stabilisation of a charge transfer complex based on 7,7,8,8-tetracyanoquinodimethane COMPAGNIE EUROPEENNE DE COMPOSANTS ELECTRONIQUES LCC (FR) 1993-09-01 EP disclosed