SCHEMBL4720512

SCHEMBL4720512

Cc1cc(-c2cnco2)cc(-c2nn(-c3cc(N4CCC(O)C4)ccc3C(F)(F)F)c(=O)c3ncccc23)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 2/20 0.35
P2RX7 Q99572 1/20 0.35
SOS1 Q07889 2/20 0.33
TACR1 P25103 2/20 0.32
PIM1 P11309 2/20 0.32
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
METAP2 P50579 1/20 0.31
RORC P51449 1/20 0.31
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
HSD11B1 P28845 3/20 0.31

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
SCHEMBL4720511 1.00 SLC40A1 (0.35) SLC40A1P2RX7SOS1TACR1PIM1
SCHEMBL4724242 1.00 SLC40A1 (0.35) SLC40A1P2RX7SOS1TACR1PIM1
SCHEMBL4722529 0.92 P2RX7 (0.34) P2RX7SOS1PDE3BPDE3ARORC
SCHEMBL4722535 0.92 P2RX7 (0.34) P2RX7SOS1PDE3BPDE3ARORC
SCHEMBL4721474 0.91 SOS1 (0.34) P2RX7SOS1PDE3BPDE3ARORC
SCHEMBL4721469 0.91 SOS1 (0.34) P2RX7SOS1PDE3BPDE3ARORC
SCHEMBL4719872 0.88 SLC40A1 (0.33) SLC40A1PIM1
SCHEMBL4722421 0.88 SLC40A1 (0.33) SLC40A1PIM1
SCHEMBL4719871 0.88 SLC40A1 (0.33) SLC40A1PIM1
SCHEMBL4719110 0.87 TRPV1 (0.34) TRPV1

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