SCHEMBL15909674

SCHEMBL15909674

CC1(C)c2cc(-c3ccc(N(c4ccc(C#N)cc4)c4cccc5ccccc45)cc3)cc3ccc4cc(-c5ccc6ccccc6c5)cc1c4c23

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.37
PIM1 P11309 2/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
PGR P06401 3/20 0.33
PDK2 Q15119 1/20 0.33
MMP3 P08254 2/20 0.32
PDPK1 O15530 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL15909667 0.94 CA1 (0.34) HRH3PIM1CA1CA2PGR
SCHEMBL15909634 0.94 CA1 (0.34) HRH3PIM1CA1CA2PGR
SCHEMBL15909631 0.93 HRH3 (0.33) HRH3PIM1CA1CA2PGR
SCHEMBL15909653 0.91 PGR (0.36) HRH3CA1CA2PGRPDK2
SCHEMBL15909814 0.90 HRH3 (0.39) HRH3PIM1CA1CA2PGR
SCHEMBL15909658 0.89 LIMK1 (0.32) HRH3PDPK1
SCHEMBL15909672 0.89 PDK2 (0.36) HRH3PIM1CA1CA2PGR
SCHEMBL15909816 0.88 PDK2 (0.41) HRH3PIM1CA1CA2PGR
SCHEMBL15909792 0.88 PDK2 (0.36) HRH3PIM1CA1CA2PGR
SCHEMBL15909675 0.86 FABP1 (0.40) PIM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140209872-A1 COMPOUND, ORGANIC LIGHT EMITTING DEVICE INCLUDING THE COMPOUND, AND FLAT DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-31 US disclosed
US-20140209872-A1 COMPOUND, ORGANIC LIGHT EMITTING DEVICE INCLUDING THE COMPOUND, AND FLAT DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-31 US disclosed