SCHEMBL16956502

SCHEMBL16956502

[CH2]c1cc(Cl)ccc1CCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.42
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
IDO1 P14902 4/20 0.38
HPGD P15428 2/20 0.37
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
PYCR1 P32322 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
SLC22A1 O15245 1/20 0.33
USP2 O75604 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 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
SCHEMBL9345972 0.83 FLT1 (0.41) KCNH2FLT1FLT4KDRIDO1
SCHEMBL16955805 0.83 IDO1 (0.40) KCNH2FLT1FLT4KDRIDO1
SCHEMBL426435 0.78 IDO1 (0.56) IDO1HPGDCYP3A4CYP1A2CYP2C9
SCHEMBL5953580 0.77 CNR1 (0.45)
SCHEMBL16959716 0.77 TAAR1 (0.41) HPGDCYP1A2MEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL7988970 0.77 IDO1 (0.54) IDO1HPGDCYP3A4CYP1A2CYP2C9
SCHEMBL19278265 0.77 FLT1 (0.45) KCNH2FLT1FLT4KDRIDO1
SCHEMBL8337975 0.77 CYP3A4 (0.40) KCNH2FLT1FLT4KDRIDO1
SCHEMBL10823055 0.76 FLT1 (0.39) KCNH2FLT1FLT4KDRIDO1
SCHEMBL10637021 0.75 TYR (0.50) KCNH2FLT1FLT4KDRIDO1

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-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed