SCHEMBL9015085

SCHEMBL9015085

O=[N+]([O-])c1c(-c2ccc(Cl)cc2)[nH]c(Br)c1-c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
NPBWR1 P48145 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PKM P14618 2/20 0.40
HCRTR1 O43613 1/20 0.40
TSHR P16473 1/20 0.38
MCL1 Q07820 2/20 0.38
POLB P06746 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
PSD A5PKW4 3/20 0.37
TP53 P04637 1/20 0.37
PTGS2 P35354 4/20 0.36

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 0.86 ALDH1A1 (0.43) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL9520176 0.86 MAPT (0.43) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL9015058 0.78 PSD (0.43) ALDH1A1PKMHCRTR1TSHRPSD
SCHEMBL9518736 0.77 MAPT (0.35) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL9840959 0.77 MAPT (0.39) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL9015102 0.76 PSD (0.50) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL9337605 0.76 MAPT (0.38) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL9015077 0.74 ABCC8 (0.47) PKMHCRTR1PSDPTGS2CYP1A2
SCHEMBL9015124 0.74 PSD (0.40) ALDH1A1HPGDPKMHCRTR1TSHR
SCHEMBL9015086 0.74 ABCC8 (0.47) PKMHCRTR1PSDPTGS2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0487870-B1 Insecticidal and acaricidal diarylpyrrolecarbonitrile and diarylnitropyrrole compounds AMERICAN CYANAMID CO (US) 1996-12-18 EP claimed
US-5233052-A Insecticidal and acaricidal diarylpyrrolecarbonitrile and diarylnitropyrrole compounds AMERICAN CYANAMID COMPANY (US) 1993-08-03 US disclosed
US-5180734-A INSECTICIDAL AND ACARICIDAL DIARYLPYRROLECARBONITRILE AND DIARYLNITROPYRROLE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1993-01-19 US disclosed