SCHEMBL6605524

SCHEMBL6605524

CCCN(CCC)CCOc1cc(NC(=O)c2cccs2)ccc1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.68
MEN1 O00255 5/20 0.59
RAB9A P51151 5/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
ALDH1A1 P00352 2/20 0.59
TP53 P04637 2/20 0.59
NPC1 O15118 2/20 0.59
LMNA P02545 1/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 6/20 0.57
L3MBTL1 Q9Y468 1/20 0.55
KDM4E B2RXH2 3/20 0.52
THRB P10828 1/20 0.52
HPGD P15428 1/20 0.52
MCHR1 Q99705 1/20 0.52
HTT P42858 1/20 0.51
QRFPR Q96P65 1/20 0.50
POLB P06746 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL6603549 0.93 KMT2A (0.69) KMT2AMEN1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6603180 0.89 KMT2A (0.72) KMT2AMEN1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6605517 0.86 KMT2A (0.68) KMT2AMEN1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6604269 0.85 MCHR1 (0.61) KMT2AMEN1ALDH1A1TP53MAPT
SCHEMBL6603140 0.83 MCHR1 (0.54) KMT2AALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL7618396 0.82 MAPT (0.56) KMT2AMEN1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL28147926 0.82 KMT2A (1.00) KMT2AMEN1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6604593 0.82 MCHR1 (0.57) RAB9ASMN1; SMN2TP53NPC1LMNA
SCHEMBL6898088 0.80 MCHR1 (0.67) RAB9ASMN1; SMN2ALDH1A1TP53NPC1
SCHEMBL6602387 0.80 TSHR (0.59) KMT2AMEN1RAB9ASMN1; SMN2ALDH1A1

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 6 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
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