SCHEMBL7589953

SCHEMBL7589953

O=C(O)c1cccc2oc(Cc3nc4c(C(=O)O)cccc4o3)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.48
IDO1 P14902 1/20 0.48
MAOA P21397 1/20 0.48
ALDH1A1 P00352 2/20 0.45
TOP2A P11388 2/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA3 P07451 1/20 0.39
TSHR P16473 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 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
SCHEMBL4306060 0.91 LMNA (0.47) MAOBIDO1MAOAALDH1A1TOP2A
SCHEMBL30445192 0.87 MAOB (0.46) MAOBIDO1MAOAALDH1A1TOP2A
SCHEMBL7721868 0.87 MAOB (0.46) MAOBIDO1MAOAALDH1A1TOP2A
SCHEMBL12932024 0.86 LMNA (0.45) MAOBIDO1MAOAALDH1A1KDM4E
SCHEMBL19298146 0.84 IDO1 (0.44) MAOBIDO1MAOAALDH1A1TOP2A
SCHEMBL4304431 0.82 IDO1 (0.43) MAOBIDO1MAOAALDH1A1TOP2A
SCHEMBL4791688 0.79 MAOB (0.50) MAOBIDO1MAOAALDH1A1TOP2A
SCHEMBL12900304 0.79 MAPT (0.44) MAOBIDO1MAOAALDH1A1KDM4E
SCHEMBL28926584 0.78 TOP2A (0.59) MAOBIDO1MAOAALDH1A1TOP2A
SCHEMBL496431 0.78 MAOB (0.49) MAOBIDO1MAOAALDH1A1TOP2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0747448-B1 Rigidized monomethine cyanine dyes UNIV CARNEGIE MELLON (US) 2002-11-06 EP disclosed
EP-0747448-A2 Rigidized monomethine cyanine dyes CARNEGIE-MELLON UNIVERSITY (US) 1996-12-11 EP disclosed