SCHEMBL8872033

SCHEMBL8872033

CCOC(=O)Cn1c(Br)c(Br)c(C#N)c1Br

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 5/20 0.53
TDP1 Q9NUW8 1/20 0.52
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 3/20 0.40
TSHR P16473 2/20 0.40
GAA P10253 1/20 0.40
GSK3A P49840 2/20 0.40
GSK3B P49841 2/20 0.40
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.37
ELANE P08246 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
SCHEMBL9123097 0.75 ALDH1A1 (0.32) KDM4EALDH1A1TDP1GAAHPGD
SCHEMBL8872265 0.73 KDM4E (0.39) KDM4ELMNA
SCHEMBL9121110 0.72 KDM4E (0.33) KDM4EALDH1A1HPGDHSD17B10
Acetic Acid SCHEMBL9244244 0.71 GAA (0.33) ALDH1A1KMT2AMEN1TSHRGAA
SCHEMBL22605349 0.71 KDM4E (0.61) KDM4EALDH1A1TDP1KMT2AMEN1
SCHEMBL9341363 0.69 APOBEC3G (0.36) KDM4EALDH1A1TDP1KMT2AMEN1
SCHEMBL23014869 0.68 ALDH1A1 (0.57) KDM4EALDH1A1TDP1KMT2AMEN1
SCHEMBL9472193 0.68 HPGD (0.35) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL9471857 0.68 ALDH1A1 (0.34) KDM4EALDH1A1TDP1POLBMAPT
SCHEMBL9564330 0.68 MAPT (0.49) KDM4EALDH1A1KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5702681-A ADMINISTERING A NITROPYRROLE OR A PYRROLE CARBONITRILE COMPOUND AMERICAN CYANAMID COMPANY (US) 1997-12-30 US disclosed
US-5665759-A ADMINISTERING A NITROPYRROLE OR PYRROLE CARBONITRILE COMPOUND AMERICAN CYANAMID COMPANY (US) 1997-09-09 US disclosed
EP-0372263-B1 Pyrrole carbonitrile and nitro-pyrrole insecticidal, acaricidal and molluscicidal agents and methods for the preparation thereof AMERICAN CYANAMID CO (US) 1995-02-15 EP disclosed
US-5371239-A Pyrrole nitrile or nitropyrrole compounds AMERICAN CYANAMID COMPANY (US) 1994-12-06 US disclosed
EP-0557732-A1 Methods and compositions for protecting animals against attack and infestation by helminth, acarid and anthropod endo- and ectoparasites AMERICAN CYANAMID COMPANY (US) 1993-09-01 EP disclosed
US-5204332-A PYRROLE CARBONITRILE AND NITROPYRROLE INSECTICIDAL AND ACARICIDAL AND MOLLUSCICIDAL AGENTS AMERICAN CYANAMID COMPANY (US) 1993-04-20 US disclosed
US-5162308-A Pyrrole carbonitrile and nitropyrrole insecticidal, acaricidal and molluscicidal agents and methods for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1992-11-10 US disclosed
EP-0372263-A2 Pyrrole carbonitrile and nitro-pyrrole insecticidal, acaricidal and molluscicidal agents and methods for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1990-06-13 EP disclosed