SCHEMBL8840342

SCHEMBL8840342

O=C(NC(=O)c1ccccc1Cl)Nc1cc(Cl)c(Cl)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
POLB P06746 2/20 0.60
PKM P14618 1/20 0.60
GCGR P47871 1/20 0.60
PYGL P06737 5/20 0.59
TDP1 Q9NUW8 1/20 0.58
PLCG2 P16885 1/20 0.56
CYP1A2 P05177 1/20 0.54
HPGD P15428 1/20 0.54
CYP2C19 P33261 1/20 0.54
PCTP Q9UKL6 1/20 0.52
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PPIA P62937 1/20 0.50
RORC P51449 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KCNK3 O14649 1/20 0.49
KCNK9 Q9NPC2 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
SCHEMBL10617761 0.89 NPC1 (0.59) NPC1RAB9APOLBPKMGCGR
SCHEMBL8840248 0.89 RAB9A (0.59) NPC1RAB9APOLBPKMGCGR
SCHEMBL8840275 0.88 POLB (0.57) NPC1RAB9APOLBPKMGCGR
SCHEMBL8840339 0.88 TDP1 (0.59) NPC1RAB9APOLBPKMGCGR
SCHEMBL11036755 0.88 RAB9A (0.60) NPC1RAB9APOLBPKMGCGR
SCHEMBL8840336 0.87 NPC1 (0.52) NPC1RAB9APOLBPKMGCGR
SCHEMBL9739800 0.86 GCGR (0.65) NPC1RAB9APOLBPKMGCGR
SCHEMBL10775980 0.85 NPC1 (0.52) NPC1RAB9APOLBPKMGCGR
SCHEMBL10383956 0.83 NPC1 (0.53) NPC1RAB9APOLBPKMGCGR
SCHEMBL10776011 0.83 NPC1 (0.53) NPC1RAB9APOLBPKMGCGR

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-5607977-A PESTICIDES SHELL AGRAR GMBH & CO. KG (DE) 1997-03-04 US disclosed