SCHEMBL8923769

SCHEMBL8923769

CC(C)Nc1cncc(Cl)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.47
AOC1 P19801 3/20 0.41
AOC3 Q16853 2/20 0.41
MAPT P10636 1/20 0.39
NR4A2 P43354 1/20 0.36
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ITGB1 P05556 1/20 0.30
ITGA4 P13612 1/20 0.30
GLP1R P43220 1/20 0.30
IRAK4 Q9NWZ3 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
SCHEMBL17372486 0.76 AOC1 (0.57) KAT2BAOC1AOC3MAPTNR4A2
SCHEMBL17372397 0.76 RXFP1 (0.36) KAT2BAOC1AOC3MAPTNR4A2
SCHEMBL4474079 0.76 AOC1 (0.43) KAT2BAOC1AOC3MAPT
SCHEMBL8923850 0.76 MAPT (0.50) KAT2BAOC1AOC3MAPTGAA
SCHEMBL18934401 0.73 AOC1 (0.56) KAT2BAOC1AOC3MAPTNR4A2
SCHEMBL5768195 0.73 AOC1 (0.51) KAT2BAOC1AOC3MAPTNR4A2
SCHEMBL8917595 0.69 KAT2B (0.46) KAT2BAOC1AOC3NR4A2GAA
SCHEMBL8165575 0.68 NR4A2 (0.47) MAPTNR4A2
SCHEMBL337576 0.68
SCHEMBL22767491 0.67 CYP1A2 (0.34) MAPT

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-5599930-A Substituted indoles as anti-AIDS pharmaceuticals THE UPJOHN COMPANY (US) 1997-02-04 US disclosed