SCHEMBL20727092

SCHEMBL20727092

Cc1ccc(-c2nc(N)c(O)c(C(=O)O)n2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 2/20 0.46
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ RARA P10276 4/20 0.38
▸ RARB P10826 4/20 0.38
▸ RARG P13631 4/20 0.38
▸ AKR1C3 P42330 2/20 0.38
▸ AKR1C2 P52895 2/20 0.38
▸ ERN1 O75460 2/20 0.37
▸ AKR1B10 O60218 1/20 0.36
▸ AKR1C4 P17516 1/20 0.36
▸ AKR1C1 Q04828 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ XDH P47989 1/20 0.36
▸ SLC22A12 Q96S37 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35

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
SCHEMBL20727094 0.84 KIF11 (0.41) AKR1C2ERN1AKR1C1KDM4EHSD17B10
SCHEMBL20727040 0.84 KMO (0.43) KMORARARARBRARGAKR1C3
SCHEMBL16075374 0.75 SLC6A3 (0.43) KMOHDAC1HDAC6KDM4EHSD17B10
SCHEMBL20727056 0.75 CYP1A1 (0.49) KDM4EHSD17B10KMT2AALDH1A1
SCHEMBL20727068 0.73 ERN1 (0.39) ERN1KDM4EHSD17B10LMNAXDH
SCHEMBL20727085 0.70 KMO (0.51) KMOHDAC1HDAC6AKR1C3AKR1C2
SCHEMBL20727066 0.70 KMO (0.45) KMOAKR1C3AKR1C2AKR1B10AKR1C4
SCHEMBL1397142 0.70 KMO (0.44) KMOKDM4EHSD17B10PDE4DALDH1A1
SCHEMBL16036648 0.70 NEK2 (0.40) HSD17B10PDE4B
SCHEMBL16035711 0.70 NEK2 (0.40) PDE4B

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
Send feedback