SCHEMBL8861633

SCHEMBL8861633

C=CCNC1=CC=CC[CH]1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL7178887 0.72
SCHEMBL1485584 0.69
SCHEMBL7178297 0.69 LMNA (0.31)
SCHEMBL626767 0.67
SCHEMBL1485965 0.67 CA12 (0.30) CA12CA1CA2CA9
SCHEMBL7179079 0.64
SCHEMBL8589123 0.64
SCHEMBL5592627 0.63 MAPT (0.32)
SCHEMBL7030034 0.63
SCHEMBL11178142 0.60 CA12 (0.31) CA12CA1CA2CA9

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-5620676-A ADENOSINE TRIPHOSPHATE DERIVATIVES; TREATMENT OF SEPTIC SHOCK OR BRAIN SEIZURES, LEARNING ENHANCEMENT THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-04-15 US disclosed