SCHEMBL9018993

SCHEMBL9018993

COn1c(C#N)c(Br)c(Br)c1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.45
MAOA P21397 6/20 0.43
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
KDM5A P29375 1/20 0.33
SQOR Q9Y6N5 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GRIA4 P48058 1/20 0.32
BACE1 P56817 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP1B1 Q16678 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
SCHEMBL8937646 0.75 MAOA (0.39) MAOBMAOAALDH1A1LMNASMN1; SMN2
SCHEMBL9019106 0.63 MAOB (0.41) MAOBMAOAALDH1A1LMNASMN1; SMN2
SCHEMBL5012020 0.57 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2KDM4EHPGD
SCHEMBL18204411 0.57 ALDH1A1 (0.50) MAOBMAOAALDH1A1LMNASMN1; SMN2
Biphenyl SCHEMBL28931658 0.57 ALDH1A1 (0.60) MAOAALDH1A1SMN1; SMN2KDM4EHPGD
Biphenyl SCHEMBL1153864 0.57 ALDH1A1 (0.60) MAOAALDH1A1SMN1; SMN2KDM4EHPGD
Biphenyl SCHEMBL28657752 0.57 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2BACE1CYP1A1CYP1A2
Biphenyl SCHEMBL29145978 0.57 ALDH1A1 (0.60) MAOAALDH1A1SMN1; SMN2KDM4EHPGD
Benzonitrile SCHEMBL16468987 0.56 TSHR (0.78) MAOBMAOAALDH1A1SMN1; SMN2
SCHEMBL25159291 0.56 MAPK1 (0.56) ALDH1A1LMNASMN1; SMN2KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0434940-B1 N-oxygenated arylpyrrole, insecticidal, acaricidal and nematicidal agents AMERICAN CYANAMID CO (US) 1996-05-29 EP disclosed
US-5399716-A N-oxygenated arylpyrrole insecticidal, acaricidal and nematicidal agents AMERICAN CYANAMID COMPANY (US) 1995-03-21 US disclosed
US-5347016-A N-oxygenated arylpyrrole intermediates for insecticidal, acaricidal and nematicidal agents AMERICAN CYANAMID COMPANY (US) 1994-09-13 US disclosed
US-5232979-A Insecticides, miticides, nematocides AMERICAN CYANAMID COMPANY (US) 1993-08-03 US disclosed
US-5102904-A N-OXYGENATED ARYLPYRROLE INSECTICIDAL, ACARICIDAL AND NEMATICIDAL AGENTS AND USE THEREAS AMERICAN CYANAMID COMPANY (US) 1992-04-07 US disclosed
EP-0434940-A2 N-oxygenated arylpyrrole, insecticidal, acaricidal and nematicidal agents AMERICAN CYANAMID COMPANY (US) 1991-07-03 EP disclosed