SCHEMBL9722686

SCHEMBL9722686

O=C(COc1c(Cl)cc(Cl)cc1Cl)Nc1ccccn1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.73
NPC1 O15118 12/20 0.73
TP53 P04637 4/20 0.73
PKM P14618 4/20 0.73
HPGD P15428 3/20 0.73
MITF O75030 1/20 0.73
XBP1 P17861 1/20 0.73
GAA P10253 1/20 0.56
KMT2A Q03164 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
MEN1 O00255 3/20 0.50
RXFP1 Q9HBX9 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL9722714 0.89 RAB9A (0.64) RAB9ANPC1TP53PKMHPGD
SCHEMBL27374898 0.84 NPC1 (1.00) RAB9ANPC1TP53PKMHPGD
SCHEMBL9722679 0.82 RAB9A (0.74) RAB9ANPC1TP53PKMHPGD
SCHEMBL9722680 0.81 RAB9A (0.77) RAB9ANPC1TP53PKMHPGD
SCHEMBL10733362 0.81 NOTUM (0.53) RAB9ANPC1TP53PKMHPGD
SCHEMBL9722717 0.79 NPC1 (0.59) RAB9ANPC1TP53PKMHPGD
SCHEMBL2636006 0.78 RAB9A (0.64) RAB9ANPC1TP53PKMHPGD
SCHEMBL5640127 0.78 LMNA (0.67) NPC1HPGDKMT2ALMNAMAPT
SCHEMBL9722697 0.77 NPC1 (0.67) RAB9ANPC1TP53PKMHPGD
SCHEMBL9722691 0.77 NPC1 (0.80) RAB9ANPC1TP53PKMHPGD

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