SCHEMBL21153576

SCHEMBL21153576

C[C@H](I)c1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MPL P40238 3/20 0.42
KIF11 P52732 9/20 0.42
SUCNR1 Q9BXA5 4/20 0.40
TRPV3 Q8NET8 1/20 0.40
FFAR1 O14842 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
KMO O15229 1/20 0.38

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
SCHEMBL21153574 0.85 KIF11 (0.45) MPLKIF11SUCNR1TRPV3FFAR1
SCHEMBL22766122 0.83 KIF11 (0.42) MPLKIF11SUCNR1TRPV3FFAR1
SCHEMBL31030963 0.81 MPL (0.55) MPLKIF11PDE3BPDE3AKMO
SCHEMBL26266155 0.79 SUCNR1 (0.40) MPLKIF11SUCNR1TRPV3FFAR1
SCHEMBL13906328 0.78 AR (0.59) MPLKIF11PDE3BPDE3AKMO
SCHEMBL1104680 0.76 SLC6A4 (0.42) MPLKIF11
SCHEMBL12603794 0.74 KIF11 (0.51) MPLKIF11SUCNR1PDE3BPDE3A
SCHEMBL22064887 0.73 SLC6A4 (0.40) MPLTRPV3
SCHEMBL13906292 0.73 MPL (0.49) MPLKIF11PDE3BPDE3AKMO
SCHEMBL2399327 0.73 PDE2A (0.43) MPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023183776-A2 TARGETING SUCNR1 TO REDUCE NEUROINFLAMMATION NEW YORK UNIVERSITY (US) 2023-09-28 WO disclosed
WO-2019136022-A1 PERIODONTAL DISEASE THERAPY NEW YORK UNIVERSITY (US) 2019-07-11 WO disclosed