SCHEMBL5671306

SCHEMBL5671306

O=C(Nc1ccc(-c2ccc(NC(=O)c3ccc(F)cc3)c(C(=O)O)c2)cc1C(=O)O)c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK2 O95069 2/20 0.61
SERPINE1 P05121 3/20 0.59
HDAC1 Q13547 2/20 0.56
DHODH Q02127 1/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
ALDH1A1 P00352 1/20 0.56
HTT P42858 1/20 0.56
HDAC2 Q92769 1/20 0.56
IGF2BP2 Q9Y6M1 1/20 0.55
PTPN1 P18031 2/20 0.54
MITF O75030 1/20 0.53
PKM P14618 1/20 0.53
GRIK1 P39086 1/20 0.53
LTC4S Q16873 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL6349505 0.86 PTPRC (0.60) KCNK2SERPINE1HDAC1MEN1KMT2A
SCHEMBL1954779 0.85 MEN1 (0.72) SERPINE1HDAC1DHODHMEN1KMT2A
SCHEMBL6360570 0.85 KCNK2 (0.68) KCNK2HDAC1DHODHMEN1KMT2A
SCHEMBL2272122 0.84 DHODH (0.57) KCNK2SERPINE1HDAC1DHODHMEN1
SCHEMBL2274953 0.82 ACLY (0.67) SERPINE1HDAC1DHODHMEN1KMT2A
SCHEMBL16496601 0.82 SERPINE1 (0.75) SERPINE1DHODHMEN1KMT2AMAPT
SCHEMBL6348543 0.81 ALB (0.58) KCNK2SERPINE1HDAC1MEN1KMT2A
SCHEMBL16690896 0.81 KDM4E (0.58) SERPINE1HDAC1DHODHMAPTALDH1A1
SCHEMBL4236226 0.81 MEN1 (0.74) KCNK2DHODHMEN1KMT2ATDP1
SCHEMBL2278459 0.81 HDAC2 (0.71) SERPINE1HDAC1DHODHMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1626951-A1 COMPOUNDS FOR USE AS A MEDICINE INCREASING THE CONTRACTILITY OF A HEART, A HEART MUSCLE OR CELLS OF A HEART MUSCLE Procorde GmbH (DE) 2006-02-22 EP disclosed
WO-2004101495-A1 COMPOUNDS FOR USE AS A MEDICINE INCREASING THE CONTRACTILITY OF A HEART, A HEART MUSCLE OR CELLS OF A HEART MUSCLE PROCORDE GMBH (DE) 2004-11-25 WO disclosed
EP-1477475-A1 Compounds for use as a medicine increasing the contractility of a heart, a heart muscle or cells of a heart muscle Procorde GmbH (DE) 2004-11-17 EP disclosed