SCHEMBL15977942

SCHEMBL15977942

c1ccc(-c2cnc(-c3ccc4c(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c5ccccc5c(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c4c3)nc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
NFKB1 P19838 2/20 0.41
RAB9A P51151 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PDK2 Q15119 8/20 0.36
HPGDS O60760 2/20 0.33
AXL P30530 4/20 0.32
SGK1 O00141 2/20 0.32
CDK8 P49336 1/20 0.32
TNIK Q9UKE5 1/20 0.32
CAMKK2 Q96RR4 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
KIT P10721 1/20 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
SCHEMBL15977619 0.94 SMN1; SMN2 (0.38) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL15977851 0.93 SMN1; SMN2 (0.37) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL15977939 0.88 NPC1 (0.39) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL15977790 0.87 PDK2 (0.39) PDK2
SCHEMBL15977689 0.87 NPC1 (0.38) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL19164382 0.87 NPC1 (0.50) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL15977623 0.85 NPC1 (0.36) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL26161333 0.84 PDK2 (0.39) PDK2HPGDSAXLSGK1CDK8
SCHEMBL26161330 0.84 PDK2 (0.39) PDK2HPGDSAXLSGK1CDK8
SCHEMBL15977683 0.84 NPC1 (0.35) NPC1NFKB1RAB9ANFKB2RELA

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