SCHEMBL28065469

SCHEMBL28065469

O=C(OCl)c1ccccc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.57
SLC6A3 Q01959 3/20 0.54
SLC6A4 P31645 2/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SCN1A P35498 5/20 0.50
SCN2A Q99250 5/20 0.50
SCN3A Q9NY46 5/20 0.50
CHRNB2 P17787 2/20 0.50
CHRNB4 P30926 2/20 0.50
CHRNA3 P32297 2/20 0.50
CHRNA4 P43681 2/20 0.50
HNF4A P41235 1/20 0.48
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
FABP5 Q01469 1/20 0.44

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
SCHEMBL28444799 0.83 BCAT2 (0.61) BCAT2SLC6A3SLC6A4MEN1KMT2A
SCHEMBL9790236 0.83 BCAT2 (0.61) BCAT2SLC6A3SLC6A4MEN1KMT2A
SCHEMBL8662843 0.82 BCAT2 (0.64) BCAT2SLC6A3SLC6A4MEN1KMT2A
SCHEMBL10499683 0.81 SCN1A (0.59) BCAT2SLC6A3SLC6A4MEN1KMT2A
SCHEMBL1119555 0.80 TSHR (0.50) TSHRPOLB
SCHEMBL28366814 0.80 BCAT2 (0.62) BCAT2SLC6A3SLC6A4MEN1KMT2A
SCHEMBL27607146 0.80 BCAT2 (0.57) BCAT2SLC6A3SLC6A4MEN1KMT2A
SCHEMBL3964332 0.80 BCAT2 (0.57) BCAT2SLC6A3SLC6A4MEN1KMT2A
SCHEMBL29897473 0.80 BCAT2 (0.57) BCAT2SLC6A3SLC6A4MEN1KMT2A
SCHEMBL1775832 0.80 SLC6A3 (0.74) BCAT2SLC6A3SLC6A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-205223128-U Regeneration masrolar D desulfurization nitrogen rejection facility RUIJIE ENV PROT TECH CO LTD 2016-05-11 CN disclosed