SCHEMBL8331089

SCHEMBL8331089

O=C(c1cncnc1C1CC1)c1cccnc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.39
HCRTR1 O43613 10/20 0.38
HCRTR2 O43614 3/20 0.38
HDAC6 Q9UBN7 1/20 0.37
ACKR3 P25106 1/20 0.35
HSD11B1 P28845 1/20 0.35
TRPV1 Q8NER1 2/20 0.34
SSTR4 P31391 1/20 0.33
RBP4 P02753 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
Benzyl Alcohol SCHEMBL27528136 0.91 ACKR3 (0.36) ELANEHCRTR1HCRTR2HDAC6ACKR3
SCHEMBL8329113 0.82 RBP4 (0.44) HCRTR1RBP4
SCHEMBL27764496 0.78 HDAC6 (0.50) ELANEHCRTR1HCRTR2HDAC6
SCHEMBL8438955 0.73 P2RX7 (0.46)
SCHEMBL2424902 0.69 NAPRT (0.43) HCRTR1HCRTR2HDAC6SSTR4
SCHEMBL1014875 0.69 DHODH (0.38)
SCHEMBL3823060 0.68 PARP1 (0.38)
SCHEMBL29488337 0.67 NAPRT (0.58) HCRTR1HCRTR2HDAC6
SCHEMBL413572 0.67 NAPRT (0.58) HCRTR1HCRTR2HDAC6
SCHEMBL23012187 0.66 KDM4E (0.55)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0929510-A2 PROCESSES FOR THE PREPARATION OF ARYL-$g(b)-DIKETONES, ARYL-PYRIMIDINE KETONES AND CROP PROTECTION INTERMEDIATES ZENECA LIMITED (GB) 1999-07-21 EP disclosed
US-5925795-A Processes for the preparation of aryl-β-diketones, arylpyrimidine ketones and crop protection intermediates ZENECA LIMITED (GB) 1999-07-20 US disclosed
EP-0927169-A1 4-CYCLOALKYL-5-SUBSTITUTED PYRIMIDINE COMPOUNDS USEFUL AS CROP PROTECTION AGENTS ZENECA LIMITED (GB) 1999-07-07 EP disclosed
WO-1998011074-A1 4-CYCLOALKYL-5-SUBSTITUTED PYRIMIDINE COMPOUNDS USEFUL AS CROP PROTECTION AGENTS ZENECA LIMITED (GB) 1998-03-19 WO disclosed
WO-1998011046-A2 PROCESSES FOR THE PREPARATION OF ARYL-β-DIKETONES, ARYL-PYRIMIDINE KETONES AND CROP PROTECTION INTERMEDIATES ZENECA LIMITED (GB) 1998-03-19 WO disclosed
US-5707930-A HERBICIDES, AGRICULTURE ZENECA LIMITED (GB) 1998-01-13 US disclosed