SCHEMBL6587613

SCHEMBL6587613

Cc1[nH]nc(-c2cccc(NC(=O)c3cccs3)c2)c1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
CLK1 P49759 1/20 0.57
KDM4E B2RXH2 3/20 0.54
HPGD P15428 3/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ALDH1A1 P00352 1/20 0.54
GLA P06280 1/20 0.54
GAA P10253 1/20 0.54
THRB P10828 1/20 0.54
TTK P33981 2/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
KCNK3 O14649 2/20 0.51
KCNK9 Q9NPC2 2/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 4/20 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
SCHEMBL6587558 0.79 BCHE (0.53) MAPTRAB9ANPC1KDM4ETDP1
SCHEMBL2960532 0.78 L3MBTL1 (0.59) MAPTRAB9ANPC1CLK1KDM4E
SCHEMBL6585335 0.78 BDKRB1 (0.53) MAPTRAB9ANPC1KCNK3KCNK9
SCHEMBL6590586 0.77 PDE5A (0.43) MAPTKDM4EHPGDALDH1A1TTK
SCHEMBL6587615 0.76 NPC1 (0.57) MAPTRAB9ANPC1CLK1KDM4E
SCHEMBL6590232 0.76 CNR1 (0.59) MAPT
SCHEMBL5381114 0.75 TTK (0.67) MAPTRAB9ANPC1CLK1KDM4E
SCHEMBL6590857 0.75 RAF1 (0.50) SMN1; SMN2
SCHEMBL29684351 0.74 KCNK3 (0.74) MAPTRAB9ANPC1CLK1KDM4E
SCHEMBL6588594 0.74 NPC1 (0.56) RAB9ANPC1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1071701-A4 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF ARENA PHARM INC (US) 2004-04-21 EP disclosed
EP-1071701-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF Arena Pharmaceuticals, Inc. (US) 2001-01-31 EP disclosed
WO-1999052927-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF ARENA PHARMACEUTICALS, INC. (US) 1999-10-21 WO disclosed