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SCHEMBL4722535

SCHEMBL4722535

Cc1cc(-c2cnco2)cc(-c2nn(-c3cc(N4CCC(O)C4)ccc3C(F)(F)F)c(=O)c3ncc(C)cc23)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.34
▸ SOS1 Q07889 2/20 0.33
▸ PDE3B Q13370 2/20 0.32
▸ PDE3A Q14432 2/20 0.32
▸ SLC9A1 P19634 1/20 0.31
▸ RORC P51449 1/20 0.31
▸ NOTUM Q6P988 1/20 0.30
▸ SYK P43405 1/20 0.30
▸ HSD11B1 P28845 3/20 0.30

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
SCHEMBL4722529 1.00 P2RX7 (0.34) P2RX7SOS1PDE3BPDE3ASLC9A1
SCHEMBL4724242 0.92 SLC40A1 (0.35) P2RX7SOS1PDE3BPDE3ARORC
SCHEMBL4720511 0.92 SLC40A1 (0.35) P2RX7SOS1PDE3BPDE3ARORC
SCHEMBL4720512 0.92 SLC40A1 (0.35) P2RX7SOS1PDE3BPDE3ARORC
SCHEMBL4721474 0.90 SOS1 (0.34) P2RX7SOS1PDE3BPDE3ARORC
SCHEMBL4721469 0.90 SOS1 (0.34) P2RX7SOS1PDE3BPDE3ARORC
SCHEMBL4720292 0.86 P2RX7 (0.36) P2RX7SOS1PDE3BPDE3ASLC9A1
SCHEMBL4720289 0.86 P2RX7 (0.36) P2RX7SOS1PDE3BPDE3ASLC9A1
SCHEMBL4720614 0.85 P2RX7 (0.34) P2RX7SOS1PDE3BPDE3AHSD11B1
SCHEMBL4720612 0.85 P2RX7 (0.34) P2RX7SOS1PDE3BPDE3AHSD11B1

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