SCHEMBL11622011

SCHEMBL11622011

Brc1n[nH]c(-c2ccccc2)c1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 3/20 0.47
GAA P10253 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
DYRK1B Q9Y463 1/20 0.46
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
PLA2G10 O15496 1/20 0.41
PIK3CD O00329 2/20 0.40
PIK3CA P42336 2/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40
PRKDC P78527 2/20 0.40
GRM5 P41594 2/20 0.40

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
SCHEMBL8887039 0.81 ALDH1A1 (0.60) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL2875437 0.79 MAPK1 (0.63) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL16225421 0.79 AKT2 (0.50) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL1853386 0.75 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL27750642 0.75 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL9057955 0.75 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL6219367 0.74 MAPK1 (0.51) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL17279850 0.72 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL8887434 0.71 MAPK13 (0.47) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL8891555 0.71 HPGD (0.46) KDM4EALDH1A1HPGDHSD17B10GAA

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
US-4072498-A HERBICIDES THE UPJOHN COMPANY (US) 1978-02-07 US disclosed