SCHEMBL13930776

SCHEMBL13930776

CCN(CC)c1ccc2nc3c4cc(OCCNC(=O)c5ccccc5C=O)ccc4c(=O)cc-3oc2c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCP2 P22307 1/20 0.66
GPR84 Q9NQS5 10/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
POLB P06746 1/20 0.56
CA9 Q16790 1/20 0.39
HTR3A P46098 4/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
STAT3 P40763 1/20 0.37
STAT1 P42224 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
HCRTR1 O43613 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL13201656 0.86 SCP2 (0.76) SCP2GPR84MEN1KMT2ANPC1
SCHEMBL61656 0.85 SCP2 (0.75) SCP2GPR84MEN1KMT2ANPC1
SCHEMBL60937 0.84 SCP2 (0.72) SCP2GPR84MEN1KMT2ANPC1
SCHEMBL13182638 0.84 SCP2 (0.72) SCP2GPR84MEN1KMT2ANPC1
SCHEMBL14267417 0.80 SCP2 (1.00) SCP2GPR84MEN1KMT2ANPC1
SCHEMBL62370 0.79 SCP2 (0.77) SCP2GPR84MEN1KMT2ANPC1
SCHEMBL19646592 0.79 SCP2 (0.77) SCP2GPR84MEN1KMT2ANPC1
SCHEMBL3501312 0.79 SCP2 (0.82) SCP2GPR84MEN1KMT2ANPC1
SCHEMBL26434823 0.79 SCP2 (0.76) SCP2GPR84MEN1KMT2ANPC1
SCHEMBL7812704 0.78 SCP2 (0.93) SCP2GPR84MEN1KMT2ANPC1

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-2036953-A2 Long wavelength thiol-reactive fluorophores Becton, Dickinson & Company (US) 2009-03-18 EP disclosed