SCHEMBL18506133

SCHEMBL18506133

CCSc1ccc(NC(C)=O)nc1-c1nc2cc(C(F)(F)F)cnc2o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ ELANE P08246 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ MAPK9 P45984 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ DDR1 Q08345 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33

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
SCHEMBL18506132 0.83 PIK3C3 (0.37) DYRK1AADORA3MAPK1PIK3CAMAPK8
SCHEMBL23934187 0.81 DYRK1A (0.34) DYRK1AADORA3POLBMAPK1PIK3CA
SCHEMBL31141497 0.81 DDR1 (0.33) POLBDDR1RAB9A
SCHEMBL18498693 0.81 DDR1 (0.33) POLBDDR1RAB9A
SCHEMBL17309745 0.78 SMN1; SMN2 (0.34) POLBMAPK1NPC1RAB9AMAPK14
SCHEMBL29431639 0.78 SMN1; SMN2 (0.34) POLBMAPK1NPC1RAB9AMAPK14
SCHEMBL18819410 0.76 TLR8 (0.33) ELANEPOLBRAB9AMAPK14
SCHEMBL18506131 0.74 AGPAT2 (0.44) DYRK1AADORA3POLBDDR1CYP1A2
SCHEMBL9952930 0.73 NPC1 (0.43) POLBNPC1GAA
SCHEMBL20144323 0.72 POLB (0.32) POLB

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
EP-3331870-B1 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2021-06-16 — — EP disclosed
WO-2017025419-A2 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-02-16 — — WO disclosed
Send feedback