SCHEMBL9520176

SCHEMBL9520176

O=[N+]([O-])c1c(-c2ccc(Cl)cc2)[nH]c(Br)c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPBWR1 P48145 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 3/20 0.38
MCL1 Q07820 2/20 0.38
PKM P14618 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.38
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35

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
SCHEMBL9518638 0.87 ALDH1A1 (0.43) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL9015085 0.86 MAPT (0.42) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL9518736 0.84 MAPT (0.35) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL9337636 0.83 KMT2A (0.42) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL9840959 0.78 MAPT (0.39) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL8664025 0.78 MAPT (0.32) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL9337605 0.77 MAPT (0.38) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL10334017 0.73 ALDH1A1 (0.37) ALDH1A1HPGDTDP1TSHRPTGS2
SCHEMBL9336037 0.71 MAPT (0.38) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL9228083 0.71 HSD17B10 (0.45) MAPTMEN1KMT2AALDH1A1NPC1

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
EP-0312723-B1 Method of and bait compositions for controlling mollusks AMERICAN CYANAMID CO (US) 1993-12-22 EP claimed
US-4929634-A ARYLPYRROLE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1990-05-29 US claimed
EP-0312723-A2 Method of and bait compositions for controlling mollusks AMERICAN CYANAMID COMPANY (US) 1989-04-26 EP claimed
EP-0347488-A1 Arylpyrrole insecticidal acaricidal and nematicidal agents and method for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1989-12-27 EP disclosed