SCHEMBL4400946

SCHEMBL4400946

Cc1ccc(P(=O)(c2cccnc2)c2ccc(C)nc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 8/20 0.40
▸ KCNN4 O15554 5/20 0.40
▸ CYP2A6 P11509 6/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2E1 P05181 2/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ MKNK1 Q9BUB5 1/20 0.35
▸ MKNK2 Q9HBH9 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
SCHEMBL14353950 0.84 KCNA5 (0.50) KCNA5KCNN4CYP2A6CYP3A4HDAC1
SCHEMBL14354081 0.79 KCNA5 (0.55) KCNA5KCNN4NAMPT
SCHEMBL26023315 0.79 KCNA5 (0.55) KCNA5KCNN4NAMPT
SCHEMBL14020759 0.77 KCNA5 (0.44) KCNA5KCNN4CYP2A6CYP3A4HDAC1
SCHEMBL14020770 0.77 KCNA5 (0.44) KCNA5KCNN4CYP2A6CYP3A4HDAC1
SCHEMBL13459606 0.75 HDAC1 (0.46) HDAC1HDAC6
SCHEMBL19797417 0.74 KCNA5 (0.46) KCNA5KCNN4
SCHEMBL19726387 0.72 KCNA5 (0.47) KCNA5KCNN4CYP2A6CYP3A4HDAC1
SCHEMBL13536643 0.72 HDAC1 (0.42) CYP2A6CYP2E1HDAC1HDAC6
SCHEMBL31193662 0.72 CA2 (0.52) KCNA5KCNN4CYP2A6CYP3A4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675930-B1 NEW MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2018-05-30 — — EP disclosed
US-8173276-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2012-05-08 — — US disclosed
US-8173276-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2012-05-08 — — US disclosed
US-20100102305-A1 MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2010-04-29 — — US disclosed
US-20100102305-A1 MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2010-04-29 — — US disclosed
US-7659540-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2010-02-09 — — US disclosed
US-7659540-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2010-02-09 — — US disclosed
US-20070080343-A1 New materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2007-04-12 — — US disclosed
US-20070080343-A1 New materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2007-04-12 — — US disclosed
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