SCHEMBL22779521

SCHEMBL22779521

CCSc1ccc(-c2ccc(C(F)(F)F)cc2F)nc1-c1nc2cc(C(F)(F)F)n(CC)c(=O)c2n1C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 4/20 0.38
▸ TRPA1 O75762 3/20 0.36
▸ TRPV4 Q9HBA0 2/20 0.36
▸ MPL P40238 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ PKLR P30613 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ HSD11B1 P28845 1/20 0.32
▸ PDE2A O00408 1/20 0.32

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
SCHEMBL20545450 0.88 KDM4E (0.36) DDR1TRPA1TRPV4ADORA2A
SCHEMBL22349370 0.86 DDR1 (0.37) DDR1TRPA1TRPV4MPLPKM
SCHEMBL22291718 0.82 DDR1 (0.34) DDR1ADORA2A
SCHEMBL22779574 0.80 TDP2 (0.36) DDR1TRPA1
SCHEMBL22779591 0.78 PDE10A (0.32) DDR1
SCHEMBL18073398 0.78 GSR (0.33) DDR1PKMADORA2A
SCHEMBL18073404 0.76 KDR (0.34) DDR1PKMADORA2AHSD11B1
SCHEMBL23971752 0.74 DDR1 (0.30) DDR1
SCHEMBL20581691 0.74 BRD4 (0.31) DDR1
SCHEMBL20505439 0.74 ALDH1A1 (0.30) DDR1

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-3317276-B1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-12-16 — — EP disclosed
Send feedback