SCHEMBL17422697

SCHEMBL17422697

c1ccc2c(c1)ccc1c2cnc2ccc3cccnc3c21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.54
LMNA P02545 4/20 0.53
MAPT P10636 7/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
RECQL P46063 1/20 0.47
KDM4E B2RXH2 7/20 0.46
CCR1 P32246 3/20 0.46
CCR5 P51681 3/20 0.46
CCR8 P51685 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
PMP22 Q01453 2/20 0.46
TSHR P16473 2/20 0.46
GMNN O75496 1/20 0.46
TP53 P04637 1/20 0.46
HSP90AA1 P07900 1/20 0.46
MMP2 P08253 1/20 0.46
CYP2D6 P10635 1/20 0.46
MMP9 P14780 1/20 0.46

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
SCHEMBL982910 0.85 LMNA (0.58) CYP3A4LMNAMAPTSMN1; SMN2NPC1
SCHEMBL29687953 0.85 LMNA (0.58) CYP3A4LMNAMAPTSMN1; SMN2NPC1
SCHEMBL28399164 0.84 LMNA (0.56) CYP3A4LMNAMAPTSMN1; SMN2NPC1
SCHEMBL28007273 0.79 CCR1 (0.60) CYP3A4LMNAMAPTSMN1; SMN2NPC1
SCHEMBL10787406 0.79 LMNA (0.43) CYP3A4LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL10025814 0.78 KDM4E (0.55) CYP3A4LMNAMAPTSMN1; SMN2NPC1
Phenanthrene SCHEMBL16685315 0.77 CCR1 (0.76) CYP3A4LMNAMAPTSMN1; SMN2NPC1
SCHEMBL686683 0.76 LMNA (0.62) CYP3A4LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL22320767 0.76 LMNA (0.62) CYP3A4LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL17228835 0.76 CCR1 (0.60) CYP3A4LMNAMAPTSMN1; SMN2NPC1

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
CN-105647520-A New electroluminescent material and application thereof 中节能万润股份有限公司 2016-06-08 CN disclosed
WO-2016005992-A1 SUBSTITUTED NAPHTHO[2,1-b][1,10]PHENANTHROLINE BASED FLUORESCENT DYES AND APPLICATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-01-14 WO disclosed