SCHEMBL15977692

SCHEMBL15977692

c1ccc(-c2cnc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccccc5)ccc34)nc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
CYP17A1 P05093 1/20 0.42
CYP19A1 P11511 1/20 0.42
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL12263052 0.99 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL15977607 0.94 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL15977509 0.94 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL12263030 0.93 NPC1 (0.46) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL10301130 0.93 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL15977455 0.93 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL10301114 0.93 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL15977934 0.92 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL15977688 0.92 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL15977848 0.92 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ANFKB1NFKB2

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