SCHEMBL20182715

SCHEMBL20182715

CCS(=O)(=O)c1cc(-n2ccc(C(F)(F)F)n2)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ NPC1 O15118 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ DDR1 Q08345 6/20 0.32
▸ IDH1 O75874 1/20 0.32
▸ IDH2 P48735 1/20 0.32
▸ PRMT6 Q96LA8 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ PTGS2 P35354 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
SCHEMBL17696232 0.89 NPC1 (0.33) NPC1MAPTIDH1IDH2PRMT6
SCHEMBL29360277 0.85 POLB (0.48) POLBNPC1DDR1
SCHEMBL14684583 0.85 POLB (0.48) POLBNPC1DDR1
SCHEMBL20165435 0.84 POLB (0.40) POLBDDR1
SCHEMBL17553650 0.84 NPC1 (0.33) NPC1MAPTIDH1IDH2PRMT6
SCHEMBL20165440 0.83 POLB (0.42) POLBNPC1MAPTIDH1IDH2
SCHEMBL17640652 0.83 PDE2A (0.33) IDH1
SCHEMBL15868301 0.82 POLB (0.46) POLBNPC1DDR1
SCHEMBL20636713 0.82 POLB (0.36) POLBNPC1MAPTPTGS1PTGS2
SCHEMBL21641516 0.81 POLB (0.45) POLBNPC1DDR1

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
WO-2018091389-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-05-24 — — WO disclosed
Send feedback