SCHEMBL8329113

SCHEMBL8329113

O=C(c1ccccc1C(F)(F)F)c1cncnc1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.44
CNR2 P34972 2/20 0.42
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
HCRTR1 O43613 1/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
DHODH Q02127 1/20 0.39
CYP3A4 P08684 3/20 0.37
RORC P51449 1/20 0.37
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
HTR2B P41595 1/20 0.37
MAPK14 Q16539 1/20 0.37
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HSD17B10 Q99714 2/20 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
SCHEMBL8331089 0.82 ELANE (0.39) RBP4HCRTR1
Benzyl Alcohol SCHEMBL27528136 0.77 ACKR3 (0.36) CNR2HCRTR1DHODHHSD17B10KDM4E
SCHEMBL8745930 0.75 CNR2 (0.43) CNR2CTNNB1WNT3AHCRTR1LMNA
SCHEMBL8438955 0.75 P2RX7 (0.46) TSHR
SCHEMBL8488832 0.74 DHODH (0.46) RBP4CNR2CTNNB1WNT3AHCRTR1
SCHEMBL746794 0.73 LMNA (0.64) CNR2CTNNB1WNT3ALMNAGAA
SCHEMBL8327164 0.72 CYP3A4 (0.36) RBP4LMNACYP3A4CYP2C19HSD17B10
SCHEMBL28815055 0.72 LMNA (0.62) CNR2CTNNB1WNT3ALMNAGAA
SCHEMBL1014875 0.71 DHODH (0.38) DHODHKDM4ETDP1ALDH1A1
SCHEMBL13728541 0.70 CNR2 (0.54) RBP4CNR2CTNNB1WNT3ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1230943-A Process for the preparation of aryl-beta-diketones, aryl-pyrimidinones and crop protection intermediates ZENECA LTD (GB) 1999-10-06 CN disclosed
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-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
WO-1998011074-A1 4-CYCLOALKYL-5-SUBSTITUTED PYRIMIDINE COMPOUNDS USEFUL AS CROP PROTECTION AGENTS ZENECA LIMITED (GB) 1998-03-19 WO disclosed
US-5707930-A HERBICIDES, AGRICULTURE ZENECA LIMITED (GB) 1998-01-13 US disclosed