SCHEMBL9755490

SCHEMBL9755490

C=C1S[C@H]2[C@@H](Br)C(=O)N2C(C(=O)O)=C1C

nearest known ligand 0.31

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
PTGS1 P23219 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 2/20 0.30
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ESR1 P03372 1/20 0.30
SLC15A2 Q16348 1/20 0.30
SLC22A6 Q4U2R8 1/20 0.30
SLC22A8 Q8TCC7 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 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
SCHEMBL9755485 0.82 KMT2A (0.33) MEN1KMT2APTGS1CACNA1BAPBA1
SCHEMBL9755483 0.82 KMT2A (0.33) MEN1KMT2APTGS1CACNA1BAPBA1
SCHEMBL9755503 0.81 ELANE (0.39)
SCHEMBL9755501 0.81 ELANE (0.39)
SCHEMBL8809929 0.81 ELANE (0.38) MEN1KMT2APTGS1CACNA1BAPBA1
SCHEMBL9637314 0.77 ESR1 (0.38) MEN1KMT2APTGS1MAPK1HSD17B10
SCHEMBL8668723 0.71 CACNA1B (0.53) MEN1KMT2ACACNA1BAPBA1MAPK1
SCHEMBL7348573 0.71 CACNA1B (0.53) MEN1KMT2ACACNA1BAPBA1MAPK1
SCHEMBL8668720 0.71 CACNA1B (0.53) MEN1KMT2ACACNA1BAPBA1MAPK1
SCHEMBL9538102 0.71 ELANE (0.37) MEN1KMT2APTGS1CACNA1BAPBA1

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
WO-1991004977-A1 NOVEL 2-SPIROCYCLOPROPYL CEPHALOSPORIN SULFONE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF SYNPHAR LABORATORIES, INC. (CA) 1991-04-18 WO disclosed