SCHEMBL9219554

SCHEMBL9219554

N#Cc1cc(C#N)c(-c2ccc(Cl)cc2)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.45
MAOA P21397 5/20 0.41
MAOB P27338 5/20 0.41
ALDH1A1 P00352 8/20 0.40
KDM4E B2RXH2 6/20 0.40
GAA P10253 3/20 0.40
PTGS2 P35354 1/20 0.38
ERBB2 P04626 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
LRRK2 Q5S007 1/20 0.37
GLA P06280 1/20 0.36
CRHBP P24387 1/20 0.36
HTT P42858 1/20 0.36
CRHR2 Q13324 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL9221279 0.84 MCL1 (0.46) MCL1MAOAMAOBALDH1A1KDM4E
SCHEMBL10591223 0.83 AHR (0.42) MAOAMAOBKDM4EGAAMEN1
SCHEMBL10589478 0.81 MCL1 (0.44) MCL1MAOAMAOBALDH1A1KDM4E
SCHEMBL15996310 0.81 MAOA (0.47) MCL1MAOAMAOBALDH1A1KDM4E
SCHEMBL10590924 0.78 KIF11 (0.47) ALDH1A1PTGS2TDP1SMN1; SMN2
SCHEMBL3893100 0.78 KDM4E (0.46) MCL1MAOAMAOBALDH1A1KDM4E
SCHEMBL9601061 0.77 MCL1 (0.41) MCL1MAOAMAOBALDH1A1KDM4E
SCHEMBL28522401 0.77 MAPK14 (0.54) MAOAMAOBALDH1A1KDM4EGAA
Bromide SCHEMBL29618239 0.77 KDM4E (0.45) MCL1MAOAMAOBALDH1A1KDM4E
SCHEMBL7782881 0.76 MAOA (0.51) MCL1MAOAMAOBALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0347488-B1 Arylpyrrole insecticidal acaricidal and nematicidal agents and method for the preparation thereof AMERICAN CYANAMID CO (US) 1994-06-01 EP claimed
US-5010098-A Arylpyrrole insecticidal acaricidal and nematicidal agents and methods for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1991-04-23 US claimed
EP-0347488-A1 Arylpyrrole insecticidal acaricidal and nematicidal agents and method for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1989-12-27 EP claimed
US-5455263-A Administering substituted arylpyrrole compounds AMERICAN CYANAMID COMPANY (US) 1995-10-03 US disclosed
EP-0347488-B1 Arylpyrrole insecticidal acaricidal and nematicidal agents and method for the preparation thereof AMERICAN CYANAMID CO (US) 1994-06-01 EP disclosed
US-5310938-A Miticides, insecticides, parasiticides, and anthelmintics AMERICAN CYANAMID COMPANY (US) 1994-05-10 US 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
EP-0358047-A2 Method of controlling phytopathogenic fungi AMERICAN CYANAMID COMPANY (US) 1990-03-14 EP 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