SCHEMBL8366607

SCHEMBL8366607

NC(=O)c1cc(-c2ccc(Cl)cc2)nn1Cc1ccc(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 3/20 0.52
NPC1 O15118 2/20 0.51
SLC16A3 O15427 2/20 0.48
SLC16A1 P53985 2/20 0.48
MCTS1 Q9ULC4 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HTT P42858 2/20 0.46
TP53 P04637 2/20 0.46
RAB9A P51151 2/20 0.46
JAK2 O60674 1/20 0.46
TSHR P16473 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
PMP22 Q01453 1/20 0.46
HIF1A Q16665 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL8364781 0.89 MARS1 (0.53) MARS1NPC1SLC16A3SLC16A1MCTS1
SCHEMBL8367181 0.89 MARS1 (0.65) MARS1NPC1SLC16A3SLC16A1MCTS1
Hydrochloric Acid SCHEMBL8364783 0.88 MARS1 (0.64) MARS1NPC1SLC16A3SLC16A1MCTS1
SCHEMBL8364840 0.84 NPC1 (0.51) MARS1NPC1SLC16A3SLC16A1MCTS1
SCHEMBL3198943 0.76 SMN1; SMN2 (0.72) MARS1NPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL8364640 0.75 CNR2 (0.51) NPC1SLC16A3SLC16A1MCTS1SMN1; SMN2
SCHEMBL4852086 0.73 NPC1 (0.49) MARS1NPC1SLC16A3SLC16A1MCTS1
SCHEMBL3103714 0.73 MAPT (0.51) NPC1SMN1; SMN2LMNAALDH1A1TP53
SCHEMBL3215777 0.71 PPARG (0.65) MARS1NPC1SLC16A3SLC16A1MCTS1
SCHEMBL17727586 0.71 NPC1 (0.69) MARS1NPC1SMN1; SMN2LMNAALDH1A1

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