SCHEMBL11480587

SCHEMBL11480587

N#Cc1ccc(C=Cc2ccc(NN)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
FBP1 P09467 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
HDAC2 Q92769 2/20 0.45
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
P4HB P07237 1/20 0.40
MAOB P27338 2/20 0.39
PTGES2 Q9H7Z7 1/20 0.39
MAOA P21397 1/20 0.39
CYP1B1 Q16678 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
SCHEMBL11480582 1.00 IDO1 (0.46) IDO1FBP1CA1CA2CA12
SCHEMBL379556 0.87 IDO1 (0.55) IDO1CA1CA2CA12CA9
Bromide SCHEMBL20984185 0.85 IDO1 (0.53) IDO1CA1CA2CA12CA9
Hydrochloric Acid SCHEMBL541642 0.85 IDO1 (0.53) IDO1CA1CA2CA12CA9
Hydrazine SCHEMBL28385178 0.83 IDO1 (0.52) IDO1CA1CA2CA12CA9
SCHEMBL1260529 0.82 FBP1 (0.59) FBP1CA2CA12CA9HDAC2
SCHEMBL21574805 0.82 FBP1 (0.59) FBP1CA2CA12CA9HDAC2
SCHEMBL8699093 0.82 FBP1 (0.59) FBP1CA2CA12CA9HDAC2
SCHEMBL1687898 0.82 FBP1 (0.59) FBP1CA2CA12CA9HDAC2
SCHEMBL13799049 0.82 FBP1 (0.59) FBP1CA2CA12CA9HDAC2

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
US-4233440-A OPTICAL BRIGHTENERS BAYER AKTIENGESELLSCHAFT (DE) 1980-11-11 US disclosed