SCHEMBL7982722

SCHEMBL7982722

Nc1cccc(OC2(C#Cc3ccccc3)C=CC(C(=O)c3ccccc3)C=C2)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.35
MAOB P27338 2/20 0.34
FFAR1 O14842 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
ASIC3 Q9UHC3 1/20 0.32
GRM5 P41594 2/20 0.31
MGLL Q99685 1/20 0.30

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
SCHEMBL9750703 0.81 PBRM1 (0.42) PBRM1MAOBKDM4CMGLL
SCHEMBL3402558 0.69 PBRM1 (0.40) PBRM1MAOBFFAR1ASIC3
SCHEMBL8911079 0.67 HTT (0.36)
SCHEMBL1627984 0.67 MAOA (0.36) PBRM1MAOB
Ammonia Solution, Strong SCHEMBL10582921 0.66 MAOA (0.35) PBRM1MAOB
SCHEMBL528381 0.64 MAPT (0.40)
SCHEMBL6898478 0.63 MAOB (0.57) PBRM1MAOBFFAR1
SCHEMBL3402554 0.63 MAOB (0.57) PBRM1MAOBFFAR1
SCHEMBL5267430 0.62 POLB (0.48)
SCHEMBL10893912 0.62 TDP1 (0.42)

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-6288209-B1 TERMINATION, ENDCAPPING THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION 2001-09-11 US disclosed