SCHEMBL14101834

SCHEMBL14101834

COc1cc(OC)cc(-c2c3c(cn(-c4cc(N5CCCC5)ccc4C(F)(F)F)c2=O)CCC3)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
AR P10275 1/20 0.34
NOTUM Q6P988 2/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33
TUBB2B Q9BVA1 1/20 0.33
TUBB1 Q9H4B7 1/20 0.33
P2RX7 Q99572 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
SCHEMBL4718937 0.88 P2RX7 (0.38) F10NOTUMP2RX7
SCHEMBL4718933 0.88 P2RX7 (0.38) F10NOTUMP2RX7
SCHEMBL4724145 0.86 F10 (0.32) F10ALPLALPI
SCHEMBL4720890 0.86 EGFR (0.33) ALPLALPI
SCHEMBL14101726 0.85 F2 (0.37) F2F10ARNOTUMTUBB4A
SCHEMBL14101833 0.84
SCHEMBL4722328 0.83 MEN1 (0.33) MAPTTDP1POLBHTTMEN1
SCHEMBL4724195 0.77 F10 (0.42) F2F10ARNOTUMTUBB4A
SCHEMBL4722495 0.76 F10 (0.44) F2F10NOTUMMAPTTDP1
SCHEMBL4724509 0.75 PDE4A (0.41) F2F10NOTUMMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed