SCHEMBL5029682

SCHEMBL5029682

O=C(O)c1cc2cc(Br)ccc2c(O)c1P(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
RXFP1 Q9HBX9 3/20 0.50
GRIN2A Q12879 2/20 0.43
GRIN2B Q13224 2/20 0.43
GRIN2C Q14957 2/20 0.43
GRIN2D O15399 1/20 0.43
GRIN1 Q05586 1/20 0.43
GPR35 Q9HC97 1/20 0.43
KDM4E B2RXH2 2/20 0.40
GLA P06280 2/20 0.40
DHODH Q02127 1/20 0.38
MCL1 Q07820 2/20 0.38
AKR1C4 P17516 2/20 0.38
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
AKR1C1 Q04828 2/20 0.38
NPC1 O15118 1/20 0.37
LCK P06239 1/20 0.37
PIM1 P11309 1/20 0.36

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
SCHEMBL569949 0.78 GRIN2A (0.68) MEN1KMT2ARXFP1GRIN2AGRIN2B
SCHEMBL30382494 0.78 GRIN2A (0.68) MEN1KMT2ARXFP1GRIN2AGRIN2B
SCHEMBL9245071 0.76 GRIN2A (0.66) MEN1KMT2ARXFP1GRIN2AGRIN2B
SCHEMBL1223580 0.75 KDM4E (0.50) MEN1KMT2ARXFP1GRIN2AGRIN2B
SCHEMBL569239 0.75 GRIN2A (0.49) MEN1KMT2ARXFP1GRIN2AGRIN2B
SCHEMBL5029677 0.75 MEN1 (0.46) MEN1KMT2ARXFP1GRIN2AGRIN2B
SCHEMBL6351094 0.74 GPR35 (0.65) MEN1KMT2ARXFP1GRIN2AGRIN2B
SCHEMBL11416204 0.73 ERN1 (0.56) MEN1KMT2ARXFP1GRIN2AGRIN2B
SCHEMBL570624 0.70 KDM4E (0.51) MEN1KMT2ARXFP1GRIN2AGRIN2B
SCHEMBL31401779 0.69 MEN1 (0.61) MEN1KMT2ARXFP1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080032382-A1 Methods and compositions for degradation of nitroaromatic and nitramine pollutants UNIVERSITY OF IOWA RESEARCH FOUNDATION 2008-02-07 US disclosed
US-7214509-B2 Methods and compositions for degradation of nitroaromatic and nitramine pollutants UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2007-05-08 US disclosed
US-20050054030-A1 Methods and compositions for degradation of nitroaromatic and nitramine pollutants UNIVERSITY OF IOWA RESEARCH FOUNDATION 2005-03-10 US disclosed
WO-2005019136-A2 METHODS AND COMPOSITIONS FOR DEGRADATION OF NITROAROMATIC AND NITRAMINE POLLUTANTS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2005-03-03 WO disclosed