SCHEMBL20727090

SCHEMBL20727090

COc1c(N)nc(-c2ccc(OC(F)F)cc2)nc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ DHPS P49366 4/20 0.40
▸ CYP1A1 P04798 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP1B1 Q16678 1/20 0.40
▸ GRM2 Q14416 1/20 0.39
▸ CSNK2A1 P68400 1/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ FPR1 P21462 1/20 0.37
▸ FPR2 P25090 1/20 0.37
▸ F2RL3 Q96RI0 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ ADAM17 P78536 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL16127212 0.90 POLB (0.41) POLBDHPSCYP1A1CYP1A2CYP1B1
SCHEMBL16038432 0.89 POLB (0.46) POLBDHPSCYP1A1CYP1A2CYP1B1
SCHEMBL16075447 0.83 CHRNA7 (0.46) DHPSCYP1A1CYP1A2CYP1B1FPR2
SCHEMBL1396987 0.82 DHPS (0.51) DHPSCYP1A1CYP1A2CYP1B1CSNK2A1
SCHEMBL16075514 0.82 DHPS (0.53) DHPSCYP1A1CYP1A2CYP1B1DPP4
SCHEMBL16075419 0.81 DHPS (0.52) DHPSCYP1A1CYP1A2CYP1B1MEN1
SCHEMBL1397030 0.81 DHPS (0.54) POLBDHPSDPP4MEN1KMT2A
SCHEMBL16075438 0.81 DHPS (0.52) DHPSCYP1A1CYP1A2CYP1B1DPP4
SCHEMBL1396924 0.80 DPP4 (0.44) DHPSDPP4FPR2IKBKBMAP4K4
SCHEMBL16075403 0.78 MAP4K4 (0.43) DHPSFPR2MAP4K4ADORA2AADORA1

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-3440938-A1 4-AMINO-6-(4-SUBSTITUTED-PHENYL)-PICOLINATES AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 2019-02-13 — — EP disclosed
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