SCHEMBL7835189

SCHEMBL7835189

O=C(Nc1ccccc1C(=O)O)OC(Cl)C(Cl)Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 8/20 0.46
MEN1 O00255 7/20 0.46
PKM P14618 1/20 0.46
DHODH Q02127 2/20 0.46
MASP2 O00187 1/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HCAR2 Q8TDS4 1/20 0.45
CFD P00746 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44

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
SCHEMBL3629659 0.76 KMT2A (0.57) KDM4EPOLBKMT2AMEN1PKM
SCHEMBL5169945 0.73 ALDH1A1 (0.57) KDM4EPOLBKMT2AMEN1PKM
SCHEMBL29659875 0.73 ALDH1A1 (0.57) KDM4EPOLBKMT2AMEN1PKM
SCHEMBL449366 0.72 L3MBTL1 (0.58) KDM4EPOLBKMT2AMEN1PKM
SCHEMBL4749159 0.72 DHODH (0.69) KDM4EKMT2AMEN1PKMDHODH
SCHEMBL13936398 0.72 DHODH (0.64) KDM4EPOLBKMT2AMEN1PKM
SCHEMBL211260 0.72 KMT2A (0.61) KDM4EPOLBKMT2AMEN1PKM
SCHEMBL29702265 0.71 RXFP1 (0.55) KDM4EPOLBKMT2AMEN1PKM
SCHEMBL222446 0.71 RXFP1 (0.55) KDM4EPOLBKMT2AMEN1PKM
SCHEMBL10489819 0.71 KMT2A (0.63) KDM4EPOLBKMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1109812-A2 PYRROLOBENZODIAZEPINES Spirogen Limited (GB) 2001-06-27 EP disclosed
WO-2000012508-A2 PYRROLBENZODIAZEPINES SPIROGEN LIMITED (GB) 2000-03-09 WO disclosed