SCHEMBL8364840

SCHEMBL8364840

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
SLC16A3 O15427 2/20 0.51
SLC16A1 P53985 2/20 0.51
MCTS1 Q9ULC4 2/20 0.51
MARS1 P56192 3/20 0.49
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
JAK2 O60674 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.46
PPARG P37231 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL8367181 0.85 MARS1 (0.65) NPC1SLC16A3SLC16A1MCTS1MARS1
SCHEMBL8364781 0.85 MARS1 (0.53) NPC1SLC16A3SLC16A1MCTS1MARS1
Hydrochloric Acid SCHEMBL8364783 0.84 MARS1 (0.64) NPC1SLC16A3SLC16A1MCTS1MARS1
SCHEMBL8366607 0.84 MARS1 (0.52) NPC1SLC16A3SLC16A1MCTS1MARS1
SCHEMBL5107618 0.84 NPC1 (0.54) NPC1SLC16A3SLC16A1MCTS1SMN1; SMN2
SCHEMBL3198943 0.82 SMN1; SMN2 (0.72) NPC1MARS1MAPTSMN1; SMN2ALDH1A1
SCHEMBL5119752 0.81 NPC1 (0.50) NPC1SLC16A3SLC16A1MCTS1SMN1; SMN2
SCHEMBL3204724 0.80 PPARG (0.64) NPC1SMN1; SMN2ALDH1A1JAK2LMNA
SCHEMBL8369870 0.79 SLC16A3 (0.62) NPC1SLC16A3SLC16A1MCTS1MARS1
SCHEMBL3207320 0.78 PPARG (0.58) NPC1SMN1; SMN2ALDH1A1JAK2LMNA

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