SCHEMBL6602401

SCHEMBL6602401

Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1cccc(OCCN(C(C)C)C(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
POLB P06746 3/20 0.51
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
XDH P47989 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MCHR1 Q99705 3/20 0.44
PTPN1 P18031 1/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
PARP1 P09874 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL6606883 0.92 PARP1 (0.51) MAPTPOLBGAASMN1; SMN2MEN1
SCHEMBL6604450 0.90 ROCK1 (0.54) MAPTPOLBMEN1KMT2ACYP1A2
SCHEMBL6607020 0.89 NR1H4 (0.62) MAPTPOLBGAAMEN1KMT2A
SCHEMBL6602409 0.88 MAPT (0.51) MAPTPOLBGAASMN1; SMN2MEN1
SCHEMBL6603223 0.85 KMT2A (0.58) MAPTPOLBGAASMN1; SMN2MEN1
SCHEMBL6602551 0.85 MCHR1 (0.54) MAPTGAASMN1; SMN2MEN1KMT2A
SCHEMBL6606889 0.80 PARP1 (0.51) MAPTPOLBGAASMN1; SMN2MEN1
SCHEMBL6604459 0.78 MAPT (0.52) MAPTPOLBMEN1KMT2ACYP1A2
SCHEMBL6602805 0.78 MCHR1 (0.62) POLBMEN1KMT2AMCHR1
SCHEMBL6607030 0.77 NR1H4 (0.62) MAPTPOLBGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102535-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-09-29 EP claimed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 EP claimed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO claimed
EP-1102535-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-09-29 EP disclosed
US-6399656-B1 USING A BENZOPYRAN-3-CARBOXAMIDE COMPOUND SMITHKLINE BEECHAM CORPORATION 2002-06-04 US disclosed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 EP disclosed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed