SCHEMBL15977634

SCHEMBL15977634

c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.49
CYP1B1 Q16678 1/20 0.49
CTRC Q99895 1/20 0.42
ESR1 P03372 6/20 0.41
ESR2 Q92731 6/20 0.41
CYP1A2 P05177 3/20 0.41
CYP19A1 P11511 2/20 0.41
CYP17A1 P05093 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
DHODH Q02127 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
MCL1 Q07820 2/20 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
SCHEMBL15977593 1.00 CYP1A1 (0.49) CYP1A1CYP1B1CTRCESR1ESR2
SCHEMBL19271362 1.00 CYP1A1 (0.49) CYP1A1CYP1B1CTRCESR1ESR2
SCHEMBL15977636 1.00 CYP1A1 (0.49) CYP1A1CYP1B1CTRCESR1ESR2
SCHEMBL19271366 1.00 CYP1A1 (0.49) CYP1A1CYP1B1CTRCESR1ESR2
SCHEMBL10300994 0.98 CYP1A1 (0.50) CYP1A1CYP1B1CTRCESR1ESR2
SCHEMBL15977570 0.97 CYP1A1 (0.53) CYP1A1CYP1B1CTRCESR1ESR2
SCHEMBL15977654 0.96 CYP1A1 (0.49) CYP1A1CYP1B1CTRCESR1ESR2
SCHEMBL15977446 0.96 CYP1A1 (0.51) CYP1A1CYP1B1CTRCESR1ESR2
SCHEMBL15977642 0.95 CYP1A1 (0.46) CYP1A1CYP1B1CTRCESR1ESR2
SCHEMBL15977885 0.94 CYP1A1 (0.49) CYP1A1CYP1B1CTRCESR1ESR2

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