SCHEMBL4584703

SCHEMBL4584703

O=C(O)c1cc(Br)c(-c2ccccc2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.46
HPGD P15428 4/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 1/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
BCL2L1 Q07817 1/20 0.46
HSD17B10 Q99714 3/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
PLK4 O00444 1/20 0.43

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
SCHEMBL420359 0.84 RAB9A (0.43) NOTUMMAPTNPC1SMN1; SMN2MEN1
SCHEMBL1825175 0.79 MAPK14 (0.60) NOTUMHPGDKDM4EALDH1A1LMNA
SCHEMBL1821560 0.78 KDM4E (0.71) NOTUMHPGDKDM4EALDH1A1LMNA
SCHEMBL12496517 0.76 MAPK14 (0.61) NOTUMHPGDKDM4EALDH1A1LMNA
SCHEMBL25356536 0.74 HSD17B10 (0.50) NOTUMHPGDKDM4EALDH1A1LMNA
SCHEMBL16904654 0.74 MEN1 (0.61) NOTUMHPGDKDM4EALDH1A1LMNA
SCHEMBL915201 0.72 SNCA (0.52) HPGDKDM4EALDH1A1LMNAMAPT
SCHEMBL899479 0.71 GSK3B (0.61) KDM4EALDH1A1LMNABCL2L1MAPT
Hydrochloric Acid SCHEMBL8935203 0.70 GSK3B (0.59) KDM4EALDH1A1LMNABCL2L1MAPT
Bromide SCHEMBL8935164 0.70 GSK3B (0.59) KDM4EALDH1A1LMNABCL2L1MAPT

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-1968568-A2 INHIBITORS OF Akt ACTIVITY SmithKline Beecham Corporation (US) 2008-09-17 EP disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed