SCHEMBL12856464

SCHEMBL12856464

O=C(CCNCc1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 1/20 0.55
HPGD P15428 1/20 0.55
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
RAB9A P51151 1/20 0.52
HDAC1 Q13547 4/20 0.52
HDAC8 Q9BY41 3/20 0.52
NR1H4 Q96RI1 1/20 0.52
PTPN1 P18031 1/20 0.51
PPARG P37231 1/20 0.51
CA12 O43570 5/20 0.51
CA1 P00915 5/20 0.51
CA2 P00918 5/20 0.51
CA9 Q16790 5/20 0.51
PLAU P00749 1/20 0.50
GABRB1 P18505 1/20 0.50
GABRB2 P47870 1/20 0.50
HDAC3 O15379 2/20 0.48
HDAC2 Q92769 2/20 0.48

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
SCHEMBL7441999 0.82 ALDH1A1 (0.62) SMN1; SMN2KDM4EHPGDNPC1ALDH1A1
SCHEMBL11573760 0.80 DPP4 (0.58) KDM4ENPC1ALDH1A1RAB9AHDAC1
SCHEMBL28063081 0.80 SMN1; SMN2 (0.63) SMN1; SMN2KDM4EHPGDNPC1ALDH1A1
SCHEMBL6847632 0.79 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EHPGDNPC1ALDH1A1
SCHEMBL13518280 0.79 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EHPGDNPC1ALDH1A1
SCHEMBL1515809 0.79 PLAU (0.73) SMN1; SMN2KDM4EHPGDNPC1ALDH1A1
SCHEMBL7348869 0.79 ALDH1A1 (0.61) KDM4ENPC1ALDH1A1RAB9AHDAC1
SCHEMBL13563342 0.79 MAPT (0.63) KDM4EHPGDNPC1ALDH1A1RAB9A
SCHEMBL14385076 0.78 SMN1; SMN2 (0.66) SMN1; SMN2KDM4EHPGDNPC1ALDH1A1
SCHEMBL9674448 0.78 NPC1 (0.68) NPC1ALDH1A1RAB9A

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-1364212-B1 THREE HYBRID ASSAY SYSTEM GPC BIOTECH AG (DE) 2011-02-02 EP disclosed