SCHEMBL9722680

SCHEMBL9722680

O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccccn1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.77
NPC1 O15118 9/20 0.77
PKM P14618 4/20 0.77
TP53 P04637 4/20 0.77
HPGD P15428 3/20 0.77
MITF O75030 1/20 0.77
XBP1 P17861 1/20 0.77
LMNA P02545 2/20 0.64
MAPK1 P28482 2/20 0.64
SMN1; SMN2 Q16637 4/20 0.62
ALDH1A1 P00352 2/20 0.62
HTT P42858 1/20 0.62
RXFP1 Q9HBX9 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
GAA P10253 1/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 2/20 0.54
NFKB1 P19838 1/20 0.54

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
SCHEMBL27374898 0.87 NPC1 (1.00) RAB9ANPC1PKMTP53HPGD
SCHEMBL9722691 0.85 NPC1 (0.80) RAB9ANPC1PKMTP53HPGD
SCHEMBL9722697 0.83 NPC1 (0.67) RAB9ANPC1PKMTP53HPGD
SCHEMBL9722686 0.81 RAB9A (0.73) RAB9ANPC1PKMTP53HPGD
SCHEMBL9722714 0.81 RAB9A (0.64) RAB9ANPC1PKMTP53HPGD
SCHEMBL4293514 0.80 LMNA (0.58) RAB9ANPC1PKMTP53HPGD
SCHEMBL4307248 0.79 LMNA (0.57) RAB9ANPC1PKMTP53HPGD
SCHEMBL7009383 0.76 NPC1 (0.64) RAB9ANPC1PKMTP53HPGD
SCHEMBL9722705 0.76 RAB9A (0.71) RAB9ANPC1PKMTP53HPGD
SCHEMBL2636006 0.76 RAB9A (0.64) RAB9ANPC1PKMTP53HPGD

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