SCHEMBL9565192

SCHEMBL9565192

CC(c1cccc2ccccc12)c1nccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.55
ADRA2B P18089 4/20 0.55
ADRA2C P18825 4/20 0.55
LMNA P02545 1/20 0.50
ADRA1A P35348 2/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1B P35368 1/20 0.49
CYP2A6 P11509 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KRAS P01116 2/20 0.45
SOS1 Q07889 2/20 0.45
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
F12 P00748 1/20 0.43
PLAU P00749 1/20 0.43

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
SCHEMBL23457925 0.85 KRAS (0.49) ADRA2AADRA2BADRA2CLMNAADRA1A
SCHEMBL1102399 0.81 LMNA (0.59) LMNACYP2A6NPC1RAB9AMAPT
SCHEMBL31732807 0.81 LMNA (0.59) LMNACYP2A6NPC1RAB9AMAPT
SCHEMBL7073970 0.81 LMNA (0.65) ADRA2AADRA2BADRA2CLMNACYP2A6
Iodide SCHEMBL10722209 0.80 LMNA (0.58) ADRA2AADRA2BADRA2CLMNACYP2A6
SCHEMBL2998678 0.79 ALDH1A1 (0.60) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL27907152 0.77 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL6638130 0.77 LMNA (0.54) ADRA2AADRA2BADRA2CLMNACYP2A6
SCHEMBL19099919 0.77 LMNA (0.54) ADRA2AADRA2BADRA2CLMNACYP2A6
SCHEMBL6748371 0.77 LMNA (0.54) LMNACYP2A6NPC1RAB9AMAPT

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 2 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
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