SCHEMBL9840959

SCHEMBL9840959

O=[N+]([O-])c1c(Br)[nH]c(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 3/20 0.39
NPBWR1 P48145 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
ABCC8 Q09428 2/20 0.37
KCNJ11 Q14654 2/20 0.37
PSD A5PKW4 4/20 0.35
POLB P06746 3/20 0.35
MCL1 Q07820 2/20 0.35
PKM P14618 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 1/20 0.34
SCN2A Q99250 1/20 0.32

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
SCHEMBL8799225 0.79 GCGR (0.35) MEN1KMT2AALDH1A1HTTLMNA
SCHEMBL9518638 0.78 ALDH1A1 (0.43) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL9520176 0.78 MAPT (0.43) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL9015085 0.77 MAPT (0.42) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL9015058 0.73 PSD (0.43) ALDH1A1ABCC8KCNJ11PSDPKM
SCHEMBL9015083 0.73 PSD (0.43) ALDH1A1ABCC8KCNJ11PSDPKM
SCHEMBL9518736 0.72 MAPT (0.35) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL9015102 0.72 PSD (0.50) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL8664025 0.72 MAPT (0.32) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL10334017 0.70 ALDH1A1 (0.37) ALDH1A1HPGDABCC8KCNJ11TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5010098-A Arylpyrrole insecticidal acaricidal and nematicidal agents and methods for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1991-04-23 US disclosed
US-4929634-A ARYLPYRROLE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1990-05-29 US disclosed
EP-0347488-A1 Arylpyrrole insecticidal acaricidal and nematicidal agents and method for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1989-12-27 EP disclosed
EP-0312723-A2 Method of and bait compositions for controlling mollusks AMERICAN CYANAMID COMPANY (US) 1989-04-26 EP disclosed