SCHEMBL9518992

SCHEMBL9518992

N#Cc1c(-c2ccc(Br)cc2)[nH]c(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
IDO1 P14902 1/20 0.38
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
MAPK14 Q16539 2/20 0.37
ERBB2 P04626 1/20 0.37
ADORA2A P29274 1/20 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
SCHEMBL8070637 0.86 DYRK1A (0.44) DYRK1AMAPTMEN1KMT2AALDH1A1
SCHEMBL10590224 0.84 DYRK1A (0.43) DYRK1AMAOAMAOBMAPK14DHODH
SCHEMBL10591199 0.83 PTGS2 (0.46) DYRK1AMAPTMEN1KMT2AALDH1A1
SCHEMBL9226694 0.82 DYRK1A (0.59) DYRK1AMAPTALDH1A1HPGDCYP1A2
SCHEMBL1180416 0.79 KIF11 (0.46) DYRK1AMAPTMEN1KMT2AALDH1A1
SCHEMBL10589586 0.79 IDO1 (0.42) DYRK1AMEN1KMT2AALDH1A1HPGD
SCHEMBL7500352 0.78 IDO1 (0.44) DYRK1AMEN1KMT2AHPGDIDO1
SCHEMBL1180120 0.77 DYRK1A (0.43) DYRK1AMAPTMEN1KMT2AALDH1A1
SCHEMBL10590930 0.76 PTGS2 (0.57)
SCHEMBL10589530 0.76 VCAM1 (0.42) DYRK1AMAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1026206-C Arylpyrrole insecticidal acaricidal and nematicidal agents and method for preparation thereof AMERICAN CYANAMID CO (US) 1994-10-19 CN disclosed
EP-0312723-B1 Method of and bait compositions for controlling mollusks AMERICAN CYANAMID CO (US) 1993-12-22 EP disclosed
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
CN-1039807-A Desinsection, kill mite, nematocides aryl-pyrrolidine and preparation method thereof AMERICAN CYANAMID CO (US) 1990-02-21 CN 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