SCHEMBL15977635

SCHEMBL15977635

c1cc(-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)nc(-c2cccc3ccccc23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.43
ENPP3 O14638 1/20 0.37
ENPP1 P22413 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
CYP1A1 P04798 2/20 0.35
CYP1B1 Q16678 2/20 0.35
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RAB9A P51151 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL15977646 0.95 PIM1 (0.47) PIM1ENPP3ENPP1CYP1A1CYP1B1
SCHEMBL15977595 0.91 PIM1 (0.43) PIM1ENPP3ENPP1ESR1ESR2
SCHEMBL15977637 0.90 CYP1A1 (0.43) PIM1ESR1ESR2CA1CA2
SCHEMBL15977662 0.90 PIM1 (0.44) PIM1ENPP3ENPP1ESR1ESR2
SCHEMBL15977633 0.89 MEN1 (0.44) PIM1ENPP3ENPP1ESR1ESR2
SCHEMBL15977626 0.89 PIM1 (0.44) PIM1ENPP3ENPP1ESR1ESR2
SCHEMBL15977632 0.89 MEN1 (0.47) ESR1ESR2HSD17B1HSD17B2CYP1A1
SCHEMBL10353365 0.88 MEN1 (0.46) ESR1ESR2HSD17B1HSD17B2CYP1A1
SCHEMBL13759450 0.88 CYP11B1 (0.46) PIM1CYP1A2CYP17A1CYP19A1CYP11B1
SCHEMBL12435734 0.88 PIM1 (0.47) PIM1ENPP3ENPP1HSD17B1HSD17B2

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