SCHEMBL11041588

SCHEMBL11041588

Clc1ccc(NOc2ccccc2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
PGR P06401 2/20 0.45
P2RY1 P47900 1/20 0.43
EPHX1 P07099 1/20 0.41
EPHX2 P34913 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 3/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NFKB1 P19838 1/20 0.40
GFER P55789 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRM4 Q14833 1/20 0.39

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
SCHEMBL633344 0.77 HTT (0.54) NPC1RAB9APGRMEN1KMT2A
SCHEMBL251644 0.74 ALDH1A1 (0.43) EPHX1EPHX2MEN1KMT2AMAPT
SCHEMBL27714137 0.71 ALDH1A1 (0.55) NPC1RAB9AEPHX1EPHX2MEN1
SCHEMBL8896647 0.71 ALDH1A1 (0.41) NPC1RAB9AMAPTTRPV1KDM4E
SCHEMBL331059 0.71 ALDH1A1 (0.59) NPC1RAB9AEPHX1EPHX2MEN1
SCHEMBL14106777 0.71 APEX1 (0.53) NPC1RAB9AP2RY1EPHX1EPHX2
SCHEMBL30063430 0.70 POLB (0.72) NPC1RAB9AP2RY1EPHX1EPHX2
SCHEMBL11175842 0.70 POLB (0.72) NPC1RAB9AP2RY1EPHX1EPHX2
SCHEMBL623079 0.69 HPGD (0.50) NPC1RAB9APGRMAPTALDH1A1
SCHEMBL4068582 0.69 HPGD (0.52) NPC1RAB9AMEN1KMT2AMAPT

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-4478852-A FUNGICIDES CELAMERCK GMBH & CO. KG. (DE) 1984-10-23 US disclosed
US-4239888-A 1-Phenyluracils PFIZER INC. (US) 1980-12-16 US disclosed