SCHEMBL16594331

SCHEMBL16594331

Cn1cc(C(=O)Nc2cc(F)c(F)cc2-c2cccc(F)c2)c(C(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
NTRK1 P04629 1/20 0.40
CHRM3 P20309 9/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
MAPK1 P28482 3/20 0.39
MAPT P10636 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
LMNA P02545 1/20 0.38
ATM Q13315 1/20 0.38
POLQ O75417 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
SCHEMBL29451182 1.00 TP53 (0.40) TP53NTRK1CHRM3JAK2JAK1
SCHEMBL28496948 0.90 JAK2 (0.45) TP53NTRK1CHRM3JAK2JAK1
SCHEMBL303819 0.88 CHRM3 (0.48) TP53NTRK1CHRM3JAK2JAK1
SCHEMBL21069208 0.85 ATM (0.40) NTRK1CHRM3JAK2JAK1TYK2
SCHEMBL1900167 0.84 JAK2 (0.44) TP53NTRK1CHRM3JAK2JAK1
SCHEMBL15774965 0.84 MAPK1 (0.38) TP53NTRK1CHRM3JAK2MAPK1
SCHEMBL675989 0.83 CHRM3 (0.49) TP53CHRM3MAPK1MAPTLMNA
SCHEMBL1144790 0.83 CSNK1D (0.43) TP53CHRM3MAPK1MAPTIRAK4
SCHEMBL29445388 0.83 CHRM3 (0.49) TP53CHRM3MAPK1MAPTLMNA
SCHEMBL13491718 0.83 CHRM3 (0.50) TP53NTRK1CHRM3MAPTLMNA

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
US-10834921-B2 Foam formulations and apparatus for delivery FMC CORPORATION (US) 2020-11-17 US disclosed
US-20150093426-A1 FOAM FORMULATIONS AND APPARATUS FOR DELIVERY FMC CORPORATION 2015-04-02 US disclosed