SCHEMBL18174628

SCHEMBL18174628

CCc1ccnc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cc(CC)ccn5)cc4)c4ccccc34)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
LOXL2 Q9Y4K0 3/20 0.40
PIM1 P11309 1/20 0.39
ASIC3 Q9UHC3 1/20 0.39
MAPKAPK2 P49137 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PARP1 P09874 1/20 0.36
KIF11 P52732 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTR1A P08908 1/20 0.35

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
SCHEMBL10271516 0.84 ASIC3 (0.53) NOS3NOS1NOS2LOXL2PIM1
Hydrochloric Acid SCHEMBL28148503 0.83 ASIC3 (0.52) NOS3NOS1NOS2LOXL2PIM1
Dimethyl Sulfoxide SCHEMBL10806279 0.81 ASIC3 (0.46) NOS3NOS1NOS2LOXL2PIM1
SCHEMBL27802351 0.78 NOS3 (0.47) NOS3NOS1NOS2LOXL2PIM1
SCHEMBL13534468 0.78 NOS3 (0.47) NOS3NOS1NOS2LOXL2PIM1
SCHEMBL18174555 0.78 CCR1 (0.55) NOS3NOS1NOS2ASIC3LMNA
SCHEMBL27890980 0.77 ASIC3 (0.46) NOS3NOS1NOS2LOXL2PIM1
SCHEMBL913143 0.76 NOS3 (0.61) NOS3NOS1NOS2LOXL2PIM1
SCHEMBL31279599 0.76 NOS3 (0.61) NOS3NOS1NOS2LOXL2PIM1
SCHEMBL12900062 0.76 IDO1 (0.54) NOS3NOS1NOS2LOXL2PIM1

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
US-9478750-B2 Anthracene derivative and organic electroluminescent element using the same JNC CORPORATION (JP) 2016-10-25 US disclosed
US-9478750-B2 Anthracene derivative and organic electroluminescent element using the same JNC CORPORATION (JP) 2016-10-25 US disclosed