SCHEMBL8871817

SCHEMBL8871817

COc1ccc(C(=O)n2c(Br)c(Br)c(C#N)c2Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
ELANE P08246 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MCL1 Q07820 1/20 0.47
F2 P00734 1/20 0.46
HPGD P15428 1/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CNR2 P34972 2/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
POLB P06746 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CTSG P08311 1/20 0.41

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
SCHEMBL9123537 0.84 KMT2A (0.39) KMT2AELANEALDH1A1MCL1F2
SCHEMBL9120480 0.71 F2 (0.45) KMT2AALDH1A1F2MEN1LMNA
SCHEMBL9122197 0.69 GRIA4 (0.33) GRIA4
SCHEMBL2180036 0.66 CES2 (0.67) KMT2AHPGDMEN1LMNAMAPT
SCHEMBL7896809 0.66 CES2 (0.59) ALDH1A1HPGDMAPTNPSR1CES2
SCHEMBL3469060 0.65 VNN1 (0.63) KMT2AALDH1A1HPGDMEN1LMNA
SCHEMBL26487595 0.65 GPR183 (0.73) KMT2AALDH1A1HPGDMEN1LMNA
SCHEMBL9121603 0.65 GRIA4 (0.41) KMT2AALDH1A1LMNAMAPTMAPK1
SCHEMBL11387722 0.65 CHRNB2 (0.50) KMT2AALDH1A1HPGDMEN1LMNA
SCHEMBL20631562 0.64 HPGD (0.86) KMT2AALDH1A1HPGDMEN1POLB

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
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
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