SCHEMBL9224754

SCHEMBL9224754

N#Cc1c(-c2ccc(Cl)cc2)[nH]c([N+](=O)[O-])c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GLA P06280 2/20 0.36
GAA P10253 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
IDO1 P14902 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 4/20 0.34
POLB P06746 2/20 0.33

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
SCHEMBL9226327 0.85 IDO1 (0.39) VCAM1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL1180120 0.79 DYRK1A (0.43) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL9518605 0.77 DYRK1A (0.39) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL7778327 0.77 CA12 (0.40) VCAM1ALDH1A1LMNAMEN1KMT2A
SCHEMBL9228244 0.76 ALDH1A1 (0.40) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL10591135 0.75 MMP2 (0.41) VCAM1ALDH1A1LMNAMEN1KMT2A
SCHEMBL12313417 0.75 MAPT (0.43) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL7782901 0.74 ALDH1A1 (0.40) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL22022506 0.73 GRIA2 (0.41) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL9520086 0.73 MAPT (0.38) ALDH1A1LMNAMEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5455263-A Administering substituted arylpyrrole compounds AMERICAN CYANAMID COMPANY (US) 1995-10-03 US disclosed
CN-1026206-C Arylpyrrole insecticidal acaricidal and nematicidal agents and method for preparation thereof AMERICAN CYANAMID CO (US) 1994-10-19 CN 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
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