SCHEMBL15977939

SCHEMBL15977939

CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ncc(-c6ccccc6)cn5)ccc34)cc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
NFKB1 P19838 2/20 0.39
RAB9A P51151 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PDK2 Q15119 6/20 0.35
HPGDS O60760 2/20 0.32
SGK1 O00141 4/20 0.32
KIT P10721 1/20 0.32
AXL P30530 4/20 0.31
CDK8 P49336 1/20 0.31
TNIK Q9UKE5 1/20 0.31
PSMB5 P28074 1/20 0.31
CAMKK2 Q96RR4 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
SCHEMBL15977689 0.99 NPC1 (0.38) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL15977490 0.95 NPC1 (0.39) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL15977791 0.89 PDK2 (0.35) PDK2
SCHEMBL15977942 0.88 NPC1 (0.41) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL15977788 0.88 PDK2 (0.37) PDK2
SCHEMBL26500438 0.88 PDK2 (0.41) PDK2
SCHEMBL13158893 0.87 PDK2 (0.37) PDK2AXLCDK8TNIKPSMB5
SCHEMBL10301152 0.87 MEN1 (0.36) NPC1RAB9APDK2
SCHEMBL21718380 0.86 PDK2 (0.39) PDK2
SCHEMBL13487901 0.86 PDK2 (0.38) PDK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9559311-B2 Anthracene derivative, organic-electroluminescence-device material, organic electroluminescence device, and electronic equipment IDEMITSU KOSAN CO., LTD. (JP) 2017-01-31 US disclosed
US-9559311-B2 Anthracene derivative, organic-electroluminescence-device material, organic electroluminescence device, and electronic equipment IDEMITSU KOSAN CO., LTD. (JP) 2017-01-31 US disclosed
US-20140239273-A1 ANTHRACENE DERIVATIVE, ORGANIC-ELECTROLUMINESCENCE-DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-08-28 US disclosed
US-20140239273-A1 ANTHRACENE DERIVATIVE, ORGANIC-ELECTROLUMINESCENCE-DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-08-28 US disclosed