SCHEMBL24136995

SCHEMBL24136995

CCc1nc(C(F)(F)F)ccc1I

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HEXA P06865 1/20 0.34
▸ HEXB P07686 1/20 0.34
▸ MTOR P42345 2/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CXCR4 P61073 1/20 0.33
▸ PDE4B Q07343 1/20 0.32
▸ TRPV4 Q9HBA0 1/20 0.31
▸ P2RX7 Q99572 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ADRB1 P08588 1/20 0.30
▸ TRPV3 Q8NET8 1/20 0.30
▸ PTGS2 P35354 1/20 0.30
▸ GRM5 P41594 1/20 0.30
▸ SDHB P21912 1/20 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
SCHEMBL1506654 0.81 TRPV4 (0.31) TRPV4P2RX7LMNA
SCHEMBL21419162 0.78 HEXA (0.35) HEXAHEXBMTORPIK3CAKDM4E
SCHEMBL13064436 0.77 TRPV3 (0.38) HEXAHEXBKDM4ECXCR4LMNA
SCHEMBL16068142 0.77 HEXA (0.41) HEXAHEXBMTORPIK3CAKDM4E
SCHEMBL25271011 0.77 HEXA (0.34) HEXAHEXBMTORPIK3CAKDM4E
SCHEMBL30408730 0.77 HEXA (0.34) HEXAHEXBMTORPIK3CAKDM4E
SCHEMBL4492952 0.74 TKT (0.36) HEXAHEXBMTORKDM4ECXCR4
SCHEMBL22868494 0.74 CYP3A4 (0.34) HEXAHEXBKDM4ECXCR4PDE4B
SCHEMBL4760947 0.74 CNR1 (0.34) HEXAHEXBKDM4ECXCR4PDE4B
SCHEMBL4488040 0.74 CNR1 (0.36) HEXAHEXBKDM4ECXCR4PDE4B

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-3928779-A1 PHARMACEUTICAL CONTAINING SODIUM-DEPENDENT PHOSPHATE TRANSPORTER INHIBITOR AND PHOSPHORUS ADSORBENT FOR USE IN THE PREVENTION, TREATMENT OR SUPPRESSION OF CHRONIC KIDNEY DISEASE, ARTERIOSCLEROSIS ASSOCIATED WITH VASCULAR CALCIFICATION, OR ECTOPIC CALCIFICATION. Chugai Seiyaku Kabushiki Kaisha (JP) 2021-12-29 — — EP disclosed
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