SCHEMBL9722717

SCHEMBL9722717

Cc1cc(Br)c(OCC(=O)Nc2ccccn2)c(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.59
RAB9A P51151 9/20 0.59
TP53 P04637 3/20 0.57
PKM P14618 2/20 0.57
POLB P06746 3/20 0.56
HPGD P15428 2/20 0.56
MITF O75030 1/20 0.56
XBP1 P17861 1/20 0.56
GAA P10253 3/20 0.54
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
RXFP1 Q9HBX9 1/20 0.49
MAPT P10636 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
THRB P10828 1/20 0.48
LMNA P02545 1/20 0.48
CCR6 P51684 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NFKB1 P19838 1/20 0.48

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
SCHEMBL9722701 0.85 MEN1 (0.60) NPC1RAB9ATP53PKMPOLB
SCHEMBL9722689 0.81 ALDH1A1 (0.63) NPC1RAB9ATP53PKMHPGD
SCHEMBL9722686 0.79 RAB9A (0.73) NPC1RAB9ATP53PKMHPGD
SCHEMBL9722714 0.79 RAB9A (0.64) NPC1RAB9ATP53PKMPOLB
SCHEMBL969459 0.76 NPC1 (0.71) NPC1RAB9ATP53PKMHPGD
SCHEMBL9722691 0.75 NPC1 (0.80) NPC1RAB9ATP53PKMPOLB
SCHEMBL9722680 0.74 RAB9A (0.77) NPC1RAB9ATP53PKMPOLB
SCHEMBL12461472 0.74 GAA (0.65) NPC1RAB9ATP53PKMHPGD
Hydrochloric Acid SCHEMBL7014888 0.74 GAA (0.69) NPC1RAB9ATP53PKMHPGD
SCHEMBL6245092 0.72 GAA (1.00) NPC1RAB9ATP53PKMPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5139564-A Applying postemergence PARK SANG W (KR) 1992-08-18 US claimed
US-5139564-A Applying postemergence PARK SANG W (KR) 1992-08-18 US disclosed