SCHEMBL9516653

SCHEMBL9516653

CC(C)C(C)NC(=O)/C=C/C=C/C1CC1c1ccc(Br)c(Cl)c1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A3 Q01959 11/20 0.31
SLC6A4 P31645 10/20 0.31
SLC6A2 P23975 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
SCHEMBL9515177 1.00 KMT2A (0.32) KMT2AHSD17B10MEN1LMNAHPGD
SCHEMBL9515180 1.00 KMT2A (0.32) KMT2AHSD17B10MEN1LMNAHPGD
SCHEMBL9580467 0.92 SLC6A3 (0.31) SLC6A3SLC6A4SLC6A2
SCHEMBL9515139 0.92 SLC6A3 (0.31) SLC6A3SLC6A4SLC6A2
SCHEMBL9515140 0.92 SLC6A3 (0.31) SLC6A3SLC6A4SLC6A2
SCHEMBL9516755 0.92 SLC6A3 (0.31) SLC6A3SLC6A4SLC6A2
SCHEMBL9516802 0.91 RECQL (0.30)
SCHEMBL9515756 0.91 RECQL (0.30)
SCHEMBL9515751 0.91 RECQL (0.30)
SCHEMBL9518897 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0369762-B1 Pesticides ROUSSEL UCLAF (FR) 1993-12-29 EP claimed
US-5202356-A Insecticides, miticides THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-13 US disclosed
EP-0369762-A1 Pesticides ROUSSEL-UCLAF (FR) 1990-05-23 EP disclosed