SCHEMBL15977608

SCHEMBL15977608

c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(-c5ncncn5)cc4)ccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.41
NPC1 O15118 2/20 0.40
NFKB1 P19838 2/20 0.40
RAB9A P51151 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PIK3CA P42336 2/20 0.38
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
MKNK1 Q9BUB5 1/20 0.36
JAK2 O60674 2/20 0.35
LIMK1 P53667 2/20 0.35
PLAU P00749 1/20 0.35
DHFR P00374 1/20 0.34
MAPK10 P53779 1/20 0.34
ALK Q9UM73 1/20 0.34
IMPDH2 P12268 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34

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
SCHEMBL10301161 0.98 MAP4K4 (0.41) MAP4K4NPC1NFKB1RAB9ANFKB2
SCHEMBL13158592 0.94 MAP4K4 (0.41) MAP4K4PIK3CAESR1ESR2MKNK1
SCHEMBL10301120 0.93 ESR1 (0.38) MAP4K4NPC1NFKB1RAB9ANFKB2
SCHEMBL10301157 0.92 MAP4K4 (0.37) MAP4K4NPC1NFKB1RAB9ANFKB2
SCHEMBL15977730 0.87 MAP4K4 (0.44) MAP4K4NPC1NFKB1RAB9ANFKB2
SCHEMBL15977778 0.87 NPC1 (0.42) MAP4K4NPC1NFKB1RAB9ANFKB2
SCHEMBL15977696 0.87 NPC1 (0.42) MAP4K4NPC1NFKB1RAB9ANFKB2
SCHEMBL15977705 0.87 NPC1 (0.42) MAP4K4NPC1NFKB1RAB9ANFKB2
SCHEMBL15977891 0.87 NPC1 (0.42) MAP4K4NPC1NFKB1RAB9ANFKB2
SCHEMBL15977879 0.86 HSD17B1 (0.37) MAP4K4NPC1NFKB1RAB9ANFKB2

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