SCHEMBL5258994

SCHEMBL5258994

O=C(c1cccnc1)N(CF)Cc1cccc(C(F)(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 1/20 0.40
PLOD3 O60568 1/20 0.40
PLOD1 Q02809 1/20 0.40
PTGER2 P43116 2/20 0.40
TSHR P16473 2/20 0.40
GAA P10253 2/20 0.40
MLYCD O95822 1/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TBXAS1 P24557 2/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.36
TBXA2R P21731 1/20 0.36
APP P05067 1/20 0.36
HCAR3 P49019 1/20 0.36

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
SCHEMBL17092309 0.72 P2RX7 (0.38) MLYCDMEN1KMT2AGPBAR1
SCHEMBL16899940 0.71 GAA (0.51) PLOD2TSHRGAAKDM4EALDH1A1
SCHEMBL5260135 0.69 TSHR (0.44) TSHRGAAKDM4EALDH1A1HTT
Nikethamide SCHEMBL246456 0.66 HTT (0.65) PLOD2TSHRGAAKDM4EALDH1A1
SCHEMBL28424124 0.66 GAA (0.53) PLOD2PLOD3PLOD1TSHRGAA
Nikethamide SCHEMBL29754232 0.66 HTT (0.65) PLOD2TSHRGAAKDM4EALDH1A1
SCHEMBL3244455 0.66 HCRTR1 (0.43) MEN1KMT2AHCRTR1HCRTR2
Nikethamide SCHEMBL2477607 0.65 HTT (0.63) PLOD2TSHRGAAKDM4EALDH1A1
SCHEMBL4745639 0.65 ALDH1A1 (0.52) PLOD2PLOD3PLOD1TSHRGAA
Nikethamide SCHEMBL28425770 0.65 HTT (0.63) PLOD2TSHRGAAKDM4EALDH1A1

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-1751152-A2 AZINYL IMIDAZOAZINE AND AZINYL CARBOXAMIDE Bayer CropScience Aktiengesellschaft (DE) 2007-02-14 EP disclosed
WO-2005113553-A2 AZINYL IMIDAZOAZINE AND AZINYL CARBOXAMIDE BAYER CROPSCIENCE AG (DE) 2005-12-01 WO disclosed