SCHEMBL9602354

SCHEMBL9602354

O=C(Cc1cccc(C(F)(F)F)c1)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
TSHR P16473 2/20 0.57
VNN1 O95497 3/20 0.55
TBXAS1 P24557 2/20 0.53
TBXA2R P21731 1/20 0.53
PLOD2 O00469 2/20 0.52
PLOD3 O60568 1/20 0.52
PLOD1 Q02809 1/20 0.52
RXFP1 Q9HBX9 1/20 0.48
MAPT P10636 1/20 0.48
CSF1R P07333 2/20 0.47
BRAF P15056 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NAMPT P43490 1/20 0.47
CES2 O00748 1/20 0.46
KIF11 P52732 1/20 0.46

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
SCHEMBL9602346 0.89 VNN1 (0.61) MEN1KMT2ATSHRVNN1TBXAS1
SCHEMBL4024081 0.85 MEN1 (0.51) MEN1KMT2AVNN1PLOD2PLOD3
SCHEMBL6970291 0.84 CES2 (0.61) MEN1KMT2AMAPTCES2
SCHEMBL28977515 0.83 VNN1 (0.54) MEN1KMT2ATSHRVNN1MAPT
SCHEMBL423797 0.83 MEN1 (0.62) MEN1KMT2AVNN1MAPTCES2
SCHEMBL3281996 0.82 ALDH1A1 (0.54) MEN1KMT2ATBXAS1PLOD2PLOD3
SCHEMBL31326722 0.79 NAPRT (0.65) MEN1KMT2APLOD2PLOD3PLOD1
SCHEMBL17672056 0.79 NAPRT (0.65) MEN1KMT2APLOD2PLOD3PLOD1
SCHEMBL11823899 0.79 NPC1 (0.65) MEN1KMT2ATSHRPLOD2ALOX15
SCHEMBL2929610 0.79 VNN1 (0.57) MEN1KMT2ATSHRVNN1CSF1R

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0221601-B1 [[[(3-Pyridinyl)methylen]amino]oxy]alkanoic acids and esters JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-10 EP disclosed
US-5180832-A Chemical intermediate for thromboxane A2 inhibitor JANSSEN PHARMACEUTICA N.V. (BE) 1993-01-19 US disclosed
US-4746671-A THROMBOXANE SYNTHETASE INHIBITION JANSSEN PHARMACEUTICA N.V. (BE) 1988-05-24 US disclosed