SCHEMBL10066022

SCHEMBL10066022

COc1ccc(N(C2=CC(C)CC=C2)c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc(N(c5ccc(OC)cc5)c5cccc(C)c5)cc4)cc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
RELA Q04206 2/20 0.33
ACHE P22303 1/20 0.33
MAPT P10636 4/20 0.33
MAPK1 P28482 2/20 0.33
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR2B P41595 1/20 0.33
CYP51A1 Q16850 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 2/20 0.32
ALDH1A1 P00352 3/20 0.31
TSHR P16473 2/20 0.31
GAA P10253 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31

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
SCHEMBL12138153 0.92 HPGD (0.34) NPC1RAB9AMAPTCYP1A2CYP3A4
SCHEMBL25530728 0.92 HPGD (0.34) NPC1RAB9AMAPTCYP1A2CYP3A4
SCHEMBL12776035 0.89 HPGD (0.32) HPGD
SCHEMBL13808808 0.89 HPGD (0.32) HPGD
SCHEMBL19051665 0.85 HPGD (0.31) HPGD
SCHEMBL12700630 0.84 HPGD (0.32) MAPTMAPK1NR1I2LMNACYP1A2
SCHEMBL21149622 0.82 RAB9A (0.36) NPC1RAB9AMAPTLMNACYP2C19
SCHEMBL18828697 0.81 HPGD (0.30) HPGD
SCHEMBL19060605 0.81 HPGD (0.30) HPGD
SCHEMBL23656348 0.81 ALDH1A1 (0.31) MAPTLMNACYP1A2CYP3A4CYP2C9

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
EP-2423994-A1 Composite material, light emitting element, light emitting device and electronic appliance using the composite material Semiconductor Energy Laboratory Co, Ltd. (JP) 2012-02-29 EP disclosed