SCHEMBL15087658

SCHEMBL15087658

COC(=O)c1ccc(C(=O)NCCCCN)cc1P(P)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
BRD4 O60885 3/20 0.42
POLB P06746 2/20 0.42
NAMPT P43490 1/20 0.40
SMYD3 Q9H7B4 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
NAAA Q02083 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HDAC3 O15379 1/20 0.38

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
SCHEMBL10191049 0.89 BRD4 (0.45) GRIN1GRIN2AGRIN2BBRD4POLB
SCHEMBL15076060 0.88 BRD4 (0.45) GRIN1GRIN2AGRIN2BBRD4POLB
SCHEMBL14129352 0.81 BRD4 (0.47) BRD4MEN1KMT2ANPC1RAB9A
SCHEMBL10191056 0.80 NAAA (0.52) POLBMEN1KMT2ANAAANPC1
SCHEMBL14129503 0.77 SMN1; SMN2 (0.45) BRD4NAMPTMEN1KMT2AHDAC1
SCHEMBL14129348 0.76 SMN1; SMN2 (0.47) BRD4NAMPTMEN1KMT2AHDAC1
SCHEMBL16510003 0.76 SMN1; SMN2 (0.47) BRD4NAMPTMEN1KMT2AHDAC1
SCHEMBL12173390 0.76 BRD4 (0.46) BRD4POLBNPC1RAB9A
SCHEMBL10191159 0.76 BRD4 (0.42) BRD4POLBNAMPT
SCHEMBL16360963 0.76 HDAC1 (0.41) POLBNAMPTHDAC1HDAC2NAAA

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
EP-1991273-B1 LABELING AND DETECTION OF POST TRANSLATIONALLY MODIFIED PROTEINS LIFE TECHNOLOGIES CORP (US) 2013-07-03 EP disclosed