SCHEMBL15977858

SCHEMBL15977858

c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5cc(-c6ccc(-c7cccnc7)cc6)ccc45)cc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 6/20 0.49
TDP2 O95551 2/20 0.40
DHODH Q02127 1/20 0.38
CYP11B1 P15538 4/20 0.38
CYP11B2 P19099 3/20 0.38
CYP19A1 P11511 2/20 0.37
CYP17A1 P05093 1/20 0.37
PIK3CA P42336 1/20 0.36
DYRK1A Q13627 1/20 0.36
BACE1 P56817 2/20 0.35
CYP1A2 P05177 2/20 0.35
LMNA P02545 1/20 0.35
RAF1 P04049 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35
KCNH2 Q12809 1/20 0.35
FLT3 P36888 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
SCHEMBL15977929 0.93 PDK2 (0.53) PDK2TDP2DHODHCYP11B1CYP11B2
SCHEMBL15977516 0.93 PDK2 (0.45) PDK2TDP2DHODHCYP11B1CYP11B2
SCHEMBL15977588 0.92 PDK2 (0.44) PDK2TDP2DHODHCYP11B1CYP11B2
SCHEMBL15977831 0.92 PDK2 (0.43) PDK2TDP2DHODHCYP11B1CYP11B2
SCHEMBL15977609 0.91 PDK2 (0.43) PDK2TDP2DHODHCYP11B1CYP11B2
SCHEMBL15977747 0.89 PDK2 (0.47) PDK2DHODHPIK3CALMNA
SCHEMBL22763718 0.88 PDK2 (0.41) PDK2TDP2DHODHCYP11B1CYP11B2
SCHEMBL26161249 0.86 PDK2 (0.44) PDK2TDP2DHODHCYP11B1CYP11B2
SCHEMBL15977821 0.86 PDK2 (0.48) PDK2TDP2DHODHCYP11B1CYP11B2
SCHEMBL26161067 0.85 PDK2 (0.45) PDK2TDP2DHODHCYP11B1CYP11B2

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