SCHEMBL8709552

SCHEMBL8709552

Cc1cc(C)c(C(=O)NP(N)(N)=O)o1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
TP53 P04637 1/20 0.36
BACE1 P56817 1/20 0.35
PTGES O14684 1/20 0.33
MMP3 P08254 1/20 0.33
RAB9A P51151 3/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
S1PR4 O95977 1/20 0.32
NPC1 O15118 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL8587349 0.72 POLB (0.39) KDM4EMAPTMMP3KMT2AMEN1
SCHEMBL8629804 0.71 KDM4E (0.56) KDM4EMAPTRAB9AKMT2AMEN1
SCHEMBL7376159 0.70 KMT2A (0.59) KDM4EMAPTRAB9AKMT2AMEN1
SCHEMBL9590560 0.70 KMT2A (0.39) KDM4EMAPTTP53MMP3KMT2A
SCHEMBL8626710 0.69 KLK7 (0.58) KDM4ERAB9ANPC1HPGDALDH1A1
SCHEMBL8630316 0.69 MAPT (0.41) KDM4EMAPTTP53RAB9ANPC1
SCHEMBL11427056 0.68 TAS1R3 (0.46) KDM4EKMT2AMEN1L3MBTL1HPGD
SCHEMBL12195572 0.68 TP53 (0.47) KDM4EMAPTTP53MMP3RAB9A
SCHEMBL8586691 0.68 RAB9A (0.48) KDM4EMAPTTP53RAB9AS1PR4
SCHEMBL3062337 0.66 GAA (0.39) KDM4EMAPTKMT2AMEN1L3MBTL1

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-1998042347-A1 PHARMACEUTICAL COMPOSITION CONTAINING A PHOSPHORYLAMIDE AND AN AYNTIBIOTIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-01 WO disclosed