SCHEMBL22779574

SCHEMBL22779574

CCSc1ccc(-c2ccc(OC(F)(F)F)cc2)nc1-c1nc2cc(C(F)(F)F)n(CC)c(=O)c2n1C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 1/20 0.36
▸ DDR1 Q08345 3/20 0.34
▸ TYMS P04818 1/20 0.34
▸ TRPA1 O75762 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ SCN5A Q14524 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ PTGER4 P35408 1/20 0.32
▸ PSD A5PKW4 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ PPARD Q03181 2/20 0.31
▸ SCN10A Q9Y5Y9 1/20 0.31
▸ TRPC5 Q9UL62 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ALPI P09923 1/20 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
SCHEMBL20545450 0.90 KDM4E (0.36) TDP2DDR1TRPA1MAOB
SCHEMBL22349484 0.86 DDR1 (0.37) TDP2DDR1TYMSTRPA1P2RX7
SCHEMBL22291718 0.82 DDR1 (0.34) DDR1
SCHEMBL18357996 0.81 LMNA (0.36) DDR1MAOAMAOBTP53
SCHEMBL22779521 0.80 DDR1 (0.38) DDR1TRPA1
SCHEMBL18073398 0.78 GSR (0.33) DDR1CYP3A4MAPT
SCHEMBL22779591 0.77 PDE10A (0.32) DDR1
SCHEMBL18073404 0.76 KDR (0.34) DDR1CYP3A4MAPT
SCHEMBL22349444 0.75 DDR1 (0.35) DDR1CYP3A4TP53
SCHEMBL18357978 0.75 KDM4E (0.36) TDP2DDR1

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
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