SCHEMBL5575131

SCHEMBL5575131

O=C(CCC(C(=O)O)N1C(=O)CCC1=O)Nc1ccc2sc3ccccc3c(=O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.47
MAPT P10636 6/20 0.47
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 3/20 0.47
NFKB1 P19838 3/20 0.47
RAB9A P51151 3/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
GAA P10253 1/20 0.47
HCRTR1 O43613 1/20 0.47
P2RY12 Q9H244 2/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
PKM P14618 1/20 0.41
USP2 O75604 1/20 0.40
POLB P06746 2/20 0.39

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
SCHEMBL27368087 0.79 KDM4E (0.58) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL5054851 0.78 MAPT (0.59) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL5054663 0.77 ALDH1A1 (0.56) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL5051380 0.77 MAPT (0.47) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL14012188 0.74 MAPT (0.60) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL14012201 0.74 MAPT (0.55) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL14012192 0.71 MAPT (0.51) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL22281315 0.70 KDM4E (0.68) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL28828042 0.68 KDM4E (0.55) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL87136 0.68 KDM4E (0.62) KDM4EMAPTALDH1A1MEN1KMT2A

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-2007008471-A2 PHOTOLABILE SYSTEM WITH INSTANTANEOUS FLUORESCENCE REPORTING FUNCTION COLORADO SEMINARY, WHICH OWNS AND OPERATES THE UNIVERSITY OF DENVER (US) 2007-01-18 WO disclosed