SCHEMBL5240209

SCHEMBL5240209

O=C1CCC(c2ccc(Br)s2)N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
KCNJ8 Q15842 1/20 0.39
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 1/20 0.37
MCL1 Q07820 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 2/20 0.34
HTR2A P28223 1/20 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
SCHEMBL21148980 0.79 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DPARP1
SCHEMBL14559239 0.71 SLC6A4 (0.42) MEN1KMT2AHTR2AHTR2CPARP1
SCHEMBL14559235 0.70 ALDH1A1 (0.42) ALDH1A1MEN1RAB9AKMT2AGAA
SCHEMBL21009725 0.70 HTR2A (0.33) ALDH1A1KMT2AGAAPDE4APDE4B
SCHEMBL22201147 0.69 PDE4A (0.44) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL482061 0.69 PDE4A (0.44) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL4142288 0.69 PDE4A (0.44) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL14480813 0.68
SCHEMBL22201156 0.68 DDB1 (0.44) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL18341407 0.68 DDB1 (0.44) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1366043-B1 2-HETEROARYL-3,4-DIHYDRO-2H-PYRROLE DERIVATIVES AND THE USE THEREOF AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2007-06-20 EP disclosed
CN-1319965-C 2-heteroaryl-3, 4-dihydro-2H-pyrrole derivatives and their use as pesticides BAYER CROP SCIENCE AG (DE) 2007-06-06 CN disclosed
US-7186722-B2 2-heteroaryl-3,4-dihydro-2h-pyrrole derivatives and the use thereof as pesticides BAYER CROPSCIENCE AG (DE) 2007-03-06 US disclosed
US-7186722-B2 2-heteroaryl-3,4-dihydro-2h-pyrrole derivatives and the use thereof as pesticides BAYER CROPSCIENCE AG (DE) 2007-03-06 US disclosed
US-7186722-B2 2-heteroaryl-3,4-dihydro-2h-pyrrole derivatives and the use thereof as pesticides BAYER CROPSCIENCE AG (DE) 2007-03-06 US disclosed
CN-1531534-A 2-heteroaryl-3,4-dihydro-2H-pyrrole derivatives and use thereof as pesticides �ݶ�ũ�����ѧ�ɷݹ�˾ 2004-09-22 CN disclosed
US-20040116477-A1 2-Heteroaryl-3,4-dihydro-2h-pyrrole derivatives and the use thereof as pesticides BAYER CROPSCIENCE AG (DE) 2004-06-17 US disclosed
EP-1366043-A1 2-HETEROARYL-3,4-DIHYDRO-2H-PYRROLE DERIVATIVES AND THE USE THEREOF AS PESTICIDES Bayer CropScience AG (DE) 2003-12-03 EP disclosed
WO-2002064588-A1 2-HETEROARYL-3,4-DIHYDRO-2H-PYRROLE DERIVATIVES AND THE USE THEREOF AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2002-08-22 WO disclosed