SCHEMBL8722679

SCHEMBL8722679

COc1ccc2c[c]ccc2c1I

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
NQO1 P15559 1/20 0.33
NCEH1 Q6PIU2 1/20 0.33
HPGD P15428 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
SCHEMBL9164412 0.80 MAPT (0.36) MAPTNQO1NCEH1HPGD
SCHEMBL9739745 0.80 MAPT (0.40) MAPTNQO1HPGD
SCHEMBL8556354 0.79 MAPT (0.35) MAPTNQO1
SCHEMBL4326638 0.79 CYP19A1 (0.41) MAPTNQO1NCEH1HPGD
SCHEMBL4465114 0.79 CYP19A1 (0.41) MAPTNQO1NCEH1
SCHEMBL8721893 0.76 KMT2A (0.38) MAPTNCEH1
SCHEMBL28902991 0.75 KDM2B (0.37)
SCHEMBL386606 0.74 NQO1 (0.44) MAPTNQO1HPGD
SCHEMBL8716900 0.73 CA9 (0.48) MAPTNCEH1HPGD
SCHEMBL8717383 0.73 TDP1 (0.43) MAPTNCEH1

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-5760055-A PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS WAKE FOREST UNIVERSITY (US) 1998-06-02 US disclosed