SCHEMBL8729992

SCHEMBL8729992

CSCc1c(Br)cccc1C(=O)CC(=O)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
F2R P25116 2/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 2/20 0.31
RECQL P46063 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL8724282 0.80 KMT2A (0.33) SMN1; SMN2KMT2AMEN1HPGDLMNA
SCHEMBL8813402 0.79 F2R (0.36) F2RKMT2AMEN1MAPTRAB9A
SCHEMBL8726663 0.78 HPGD (0.38) SMN1; SMN2KMT2AMAPTRAB9AALDH1A1
SCHEMBL8726570 0.76 GPR119 (0.34) KMT2AMEN1ALDH1A1
SCHEMBL7577840 0.74 MAPK1 (0.37) KMT2AMAPTRAB9AALDH1A1HPGD
SCHEMBL7574482 0.72 HPGD (0.33) SMN1; SMN2KMT2AALDH1A1HPGD
SCHEMBL8145611 0.72 KMT2A (0.43) SMN1; SMN2KMT2AMEN1MAPTRAB9A
SCHEMBL25181502 0.71 F2R (0.43) SMN1; SMN2F2RKMT2ARAB9AALDH1A1
SCHEMBL30373676 0.71 F2R (0.43) SMN1; SMN2F2RKMT2ARAB9AALDH1A1
SCHEMBL9412825 0.70 TSHR (0.53) F2RKMT2AMEN1MAPTRAB9A

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
EP-0625505-B1 2-Cyano-1,3-dione derivatives and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1998-10-28 EP disclosed
EP-0625505-A2 2-Cyano-1,3-dione derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-11-23 EP disclosed