SCHEMBL11549006

SCHEMBL11549006

Cc1cc(Cc2ccc(N)cc2)c2c(N)cccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 3/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP3A4 P08684 3/20 0.38
POLB P06746 2/20 0.38
CYP1A2 P05177 2/20 0.38
USP2 O75604 1/20 0.38
MAPK10 P53779 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ACHE P22303 3/20 0.38
BCHE P06276 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37

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
SCHEMBL11599937 0.83 NCF1 (0.46) NCF1SMN1; SMN2MAPTLMNATDP1
SCHEMBL3966342 0.81 NCF1 (0.56) NCF1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL11546803 0.77 TDP1 (0.39) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL28042011 0.73 KDM4E (0.53) NCF1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL3972012 0.71 NCF1 (0.51) NCF1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL28954956 0.70 IDO1 (0.55) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL10508078 0.70 CYP3A4 (0.48) SMN1; SMN2NPC1RAB9ATDP1CYP3A4
SCHEMBL10250830 0.70 NCF1 (0.56) NCF1SMN1; SMN2MAPTRAB9ALMNA
SCHEMBL7253268 0.68 CYP1A2 (0.63) NCF1SMN1; SMN2RAB9AKDM4ECYP1A2
SCHEMBL4048648 0.68 CYP1A2 (0.58) NCF1SMN1; SMN2MAPTRAB9ALMNA

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-4167506-A Diazaphenalene derivatives and resin containing color compositions TEIJIN LIMITED (JP) 1979-09-11 US disclosed