SCHEMBL11831985

SCHEMBL11831985

CC(C)Nc1cc(Cl)nnc1Cl

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
KAT2B Q92831 1/20 0.36
NR4A2 P43354 2/20 0.36
GAA P10253 1/20 0.34
LRRK2 Q5S007 1/20 0.33
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SYK P43405 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.31
GLP1R P43220 1/20 0.30
AOC1 P19801 1/20 0.30
AOC3 Q16853 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
SCHEMBL31425666 0.80 TDP1 (0.38) TDP1KAT2BNR4A2GAASYK
SCHEMBL11822026 0.77 ALDH1A1 (0.33) TDP1KAT2BNR4A2GAAALDH1A1
SCHEMBL11822452 0.77 GAA (0.37) TDP1KAT2BNR4A2GAALRRK2
Hydrochloric Acid SCHEMBL11831996 0.76 GOT1 (0.33) TDP1KAT2BNR4A2GAAALDH1A1
SCHEMBL2490312 0.76 TDP1 (0.44) TDP1KAT2BALDH1A1RAB9AL3MBTL1
SCHEMBL23338555 0.75 TDP1 (0.48) TDP1GAAALDH1A1RAB9AL3MBTL1
SCHEMBL19021178 0.73 SYK (0.58) LRRK2SYK
SCHEMBL10510012 0.71 TDP1 (0.50) TDP1GAAALDH1A1RAB9AL3MBTL1
SCHEMBL3448310 0.71 TDP1 (0.40) TDP1ALDH1A1RAB9AL3MBTL1SYK
SCHEMBL31589301 0.71 TDP1 (0.40) TDP1ALDH1A1RAB9AL3MBTL1SYK

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-3978057-A HYPOTENSIVE AGENTS SANDOZ, INC. (US) 1976-08-31 US disclosed