SCHEMBL14252222

SCHEMBL14252222

O=C(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-2)c2cc(N(c3ccccc3)c3ccc4ccccc4c3)ccc2-c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 9/20 0.43
▸ ACHE P22303 1/20 0.38
▸ HSD17B14 Q9BPX1 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ CES2 O00748 1/20 0.35
▸ CES1 P23141 1/20 0.35
▸ CYP26A1 O43174 1/20 0.34
▸ RARA P10276 1/20 0.34
▸ RARB P10826 1/20 0.34
▸ RARG P13631 1/20 0.34
▸ CYP26B1 Q9NR63 1/20 0.34
▸ CLK1 P49759 1/20 0.33

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
SCHEMBL15040981 0.94 PDK2 (0.41) PDK2ACHEHSD17B14MEN1KMT2A
SCHEMBL12856537 0.93 PDK2 (0.49) PDK2NPC1RAB9A
SCHEMBL134303 0.93 PDK2 (0.49) PDK2NPC1RAB9A
SCHEMBL16789301 0.89 PDK2 (0.39) PDK2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL22181821 0.89 PDK2 (0.39) PDK2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL23963542 0.89 PDK2 (0.39) PDK2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL12560222 0.89 PDK2 (0.39) PDK2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL25563173 0.89 PDK2 (0.39) PDK2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL17816607 0.87 PDK2 (0.38) PDK2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL14854149 0.86 PDK2 (0.46) PDK2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791275-B1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2017-05-31 — — EP disclosed
US-20140358198-A1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2014-12-04 — — US disclosed
US-7345301-B2 Mixtures of matrix materials and organic semiconductors capable of emission, use of the same and electronic components containing said mixtures MERCK PATENT GMBH (DE) 2008-03-18 — — US disclosed
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