SCHEMBL7814404

SCHEMBL7814404

Cc1cccc(C)c1NC(=O)Nc1ccc(C(=O)O)c(O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
PKM P14618 1/20 0.55
ALDH1A1 P00352 3/20 0.55
POLB P06746 1/20 0.50
PYGL P06737 2/20 0.49
EPHX2 P34913 1/20 0.49
IDH1 O75874 1/20 0.48
HSD17B10 Q99714 2/20 0.48
GRIK1 P39086 1/20 0.47
SIRT5 Q9NXA8 2/20 0.47
DDX3X O00571 1/20 0.47
BCL2L1 Q07817 1/20 0.46
MCL1 Q07820 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
TSHR P16473 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45

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
SCHEMBL7821909 0.91 IDH1 (0.55) KMT2APKMALDH1A1PYGLIDH1
3,5-Dinitrosalicylic Acid SCHEMBL27562837 0.83 KMT2A (0.49) KMT2AALDH1A1POLBGRIK1DDX3X
SCHEMBL1129597 0.82 KMT2A (0.69) KMT2APKMPOLBPYGLEPHX2
SCHEMBL21325592 0.79 KMT2A (0.59) KMT2APKMALDH1A1POLBPYGL
SCHEMBL4353772 0.78 KMT2A (0.56) KMT2AALDH1A1IDH1HSD17B10DDX3X
SCHEMBL4359559 0.78 SMN1; SMN2 (0.56) KMT2AALDH1A1POLBEPHX2IDH1
SCHEMBL7822483 0.78 RAB9A (0.56) KMT2APKMALDH1A1POLBPYGL
SCHEMBL30051979 0.76 MAPT (0.67) KMT2APKMALDH1A1POLBHSD17B10
SCHEMBL4347168 0.75 KMT2A (0.61) KMT2AALDH1A1POLBIDH1DDX3X
SCHEMBL729994 0.75 SMN1; SMN2 (0.70) KMT2APKMALDH1A1POLBPYGL

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