SCHEMBL8366583

SCHEMBL8366583

CCCCCC(CC)NC(=O)c1cc(-c2ccc(Cl)cc2)n(Cc2ccc(Cl)cc2Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.53
SLC16A3 O15427 2/20 0.48
SLC16A1 P53985 2/20 0.48
MCTS1 Q9ULC4 2/20 0.48
MALT1 Q9UDY8 1/20 0.48
CNR1 P21554 1/20 0.44
MARS1 P56192 3/20 0.43
PPARG P37231 2/20 0.42
MME P08473 3/20 0.41

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
SCHEMBL8369870 0.76 SLC16A3 (0.62) SMPD1SLC16A3SLC16A1MCTS1MALT1
SCHEMBL8368101 0.76 SLC16A3 (0.60) SMPD1SLC16A3SLC16A1MCTS1MALT1
SCHEMBL8364830 0.76 MARS1 (0.69) SLC16A3SLC16A1MCTS1MALT1MARS1
Hydrochloric Acid SCHEMBL8368102 0.75 MARS1 (0.67) SLC16A3SLC16A1MCTS1MALT1MARS1
SCHEMBL8046158 0.74 SLC16A3 (0.50) SMPD1SLC16A3SLC16A1MCTS1MALT1
SCHEMBL8042547 0.74 CNR2 (0.50) SMPD1SLC16A3SLC16A1MCTS1MALT1
SCHEMBL8366696 0.72 MARS1 (0.64) SLC16A3SLC16A1MCTS1MALT1MARS1
SCHEMBL8368082 0.72 SLC16A3 (0.56) SLC16A3SLC16A1MCTS1MALT1MARS1
SCHEMBL8366394 0.70 MARS1 (0.60) SLC16A3SLC16A1MCTS1MALT1MARS1
SCHEMBL28858120 0.69 HTT (0.74)

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-5925768-A ANTIINFLAMMATORY AGENTS; ANALGESICS, ANTICOAGULANTS, NARCOTICS SANOFI (FR) 1999-07-20 US disclosed