SCHEMBL9711517

SCHEMBL9711517

O=C1CCNC(=O)C1C(=O)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.46
PARP1 P09874 1/20 0.40
PARP10 Q53GL7 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.38
PDK2 Q15119 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CES2 O00748 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
SORT1 Q99523 1/20 0.35
AVPR2 P30518 1/20 0.35
GPR27 Q9NS67 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL9711573 0.86 CES2 (0.50) HPDPARP1PARP10SMN1; SMN2CES2
SCHEMBL9711583 0.83 SMN1; SMN2 (0.44) PARP1PARP10SMN1; SMN2JAK2JAK1
SCHEMBL9134337 0.83 HPD (0.64) HPDPDK2CES2KDM4E
SCHEMBL9711453 0.81 HPD (0.73) HPDKDM4EALDH1A1MEN1KMT2A
SCHEMBL9711702 0.79 BACE1 (0.49) HPDPARP1PARP10CES2ALDH1A1
SCHEMBL9711637 0.78 LMNA (0.32) MEN1KMT2A
SCHEMBL9711455 0.77 CES2 (0.42) CES2ALDH1A1KMT2A
SCHEMBL9711491 0.77 CES2 (0.49) PARP10SMN1; SMN2CES2ALDH1A1HPGD
SCHEMBL9711451 0.77 LMNA (0.42) AVPR2GPR27ALDH1A1MEN1KMT2A
SCHEMBL9711657 0.76 MRGPRX4 (0.42) HPDPARP1MRGPRX4SMN1; SMN2AVPR2

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
US-5114461-A Herbicides MAY & BAKER LIMITED (GB) 1992-05-19 US disclosed
EP-0278742-A2 Cyclic diones MAY & BAKER LIMITED (GB) 1988-08-17 EP disclosed