SCHEMBL7827059

SCHEMBL7827059

O=C(O)C(O)C(O)C(=O)Nc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
POLB P06746 4/20 0.47
MITF O75030 1/20 0.47
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.46
TGM2 P21980 1/20 0.46
KLK7 P49862 1/20 0.46
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
GAA P10253 1/20 0.44
PTPN1 P18031 1/20 0.44
GRIK1 P39086 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
SCHEMBL701232 0.83 KMT2A (0.54) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL18137202 0.83 KMT2A (0.54) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL1736418 0.82 POLB (0.57) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL1735243 0.82 POLB (0.57) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL14715852 0.82 POLB (0.57) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL4086777 0.81 MAPT (0.58) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL699996 0.81 MAPT (0.58) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL29522603 0.81 KMT2A (0.58) KMT2AMEN1ALDH1A1CYP1A2CYP2C9
SCHEMBL2712488 0.78 KMT2A (0.58) KMT2AMEN1ALDH1A1CYP1A2CYP2C9
SCHEMBL701689 0.77 HTT (0.58) KMT2AMEN1ALDH1A1CYP1A2CYP2C9

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-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed