SCHEMBL7216709

SCHEMBL7216709

CCN(CC)C(CO)c1cccc2ccc(-c3cccs3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.41
ALDH1A1 P00352 7/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 6/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
HPGD P15428 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
ADORA2A P29274 3/20 0.34
ADORA1 P30542 3/20 0.34
NFKB1 P19838 1/20 0.34

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
SCHEMBL7118786 0.81 PARP1 (0.43) KDM4EALDH1A1RAB9ANPC1KMT2A
SCHEMBL7590773 0.77 KDM4E (0.41) KDM4EALDH1A1RAB9ANPC1HSD17B10
SCHEMBL7774855 0.73 KMT2A (0.38) KDM4EKMT2AMEN1L3MBTL1
SCHEMBL7869337 0.68 MEN1 (0.31) KMT2AMEN1
Hydrochloric Acid SCHEMBL7869367 0.68 MEN1 (0.30) KMT2AMEN1
SCHEMBL7210600 0.68 PDE4A (0.36)
SCHEMBL28318666 0.67 KDM4E (0.56) KDM4EALDH1A1RAB9ANPC1HSD17B10
SCHEMBL11201016 0.66 ALOX5 (0.39) KDM4EALDH1A1RAB9ANPC1MAPT
SCHEMBL7210617 0.66 PDE10A (0.43) KDM4EALDH1A1RAB9AMAPTKMT2A
SCHEMBL27873922 0.64 KDM4E (0.56) KDM4EALDH1A1RAB9ANPC1HSD17B10

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
US-6617336-B1 Treatment of urinary incontinence, venous insufficiency, migraine or gastrointestinal disorders SANOFI-SYNTHELABO (FR) 2003-09-09 US claimed
EP-1240146-A1 2-ARYLQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2002-09-18 EP claimed
WO-2001038310-A1 2-ARYLQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2001-05-31 WO claimed
US-6617336-B1 Treatment of urinary incontinence, venous insufficiency, migraine or gastrointestinal disorders SANOFI-SYNTHELABO (FR) 2003-09-09 US disclosed
EP-1240146-A1 2-ARYLQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2002-09-18 EP disclosed
WO-2001038310-A1 2-ARYLQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2001-05-31 WO disclosed