SCHEMBL9711491

SCHEMBL9711491

O=C1CCNC(=O)C1C(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 3/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 1/20 0.43
SRD5A2 P31213 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PARP10 Q53GL7 1/20 0.41
PARP11 Q9NR21 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
P2RX1 P51575 1/20 0.41

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
SCHEMBL9711471 0.86 CES2 (0.43) CES2SMN1; SMN2MEN1KMT2APARP10
SCHEMBL9711702 0.83 BACE1 (0.49) CES2POLBHPGDSRD5A2MEN1
SCHEMBL9711601 0.81 HSD11B1 (0.44)
SCHEMBL9711809 0.80 PARP1 (0.42) LMNAMEN1KMT2ANPSR1
SCHEMBL9711621 0.80 PARP1 (0.42) SMN1; SMN2HPGDMEN1KMT2AALDH1A1
SCHEMBL9711735 0.80 NPC1 (0.49) SMN1; SMN2POLBHPGDMEN1KMT2A
SCHEMBL9711573 0.78 CES2 (0.50) CES2SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL9711517 0.77 HPD (0.46) CES2SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL9711648 0.76 CES2 (0.43) CES2SMN1; SMN2LMNAPOLBHPGD
SCHEMBL9711489 0.75 CES2 (0.50) CES2LMNAPOLBMEN1KMT2A

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