SCHEMBL7865783

SCHEMBL7865783

Brc1ccc(-c2cnc3ccccc3n2)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.57
RAB9A P51151 7/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 4/20 0.57
HPGD P15428 3/20 0.57
HSD17B10 Q99714 2/20 0.57
MAPK10 P53779 2/20 0.57
GAA P10253 1/20 0.57
CASP1 P29466 1/20 0.57
CASP7 P55210 1/20 0.57
MAPT P10636 4/20 0.56
RXFP1 Q9HBX9 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
TP53 P04637 1/20 0.56
PPARG P37231 1/20 0.56
NCOA2 Q15596 1/20 0.56
NCOA1 Q15788 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
NCOA3 Q9Y6Q9 1/20 0.56

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
SCHEMBL18000546 0.76 RAB9A (0.57) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL29614829 0.76 NPC1 (0.63) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL3076524 0.76 NPC1 (0.63) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL29966674 0.76 NPC1 (0.63) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL29942654 0.76 NPC1 (0.63) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL27724702 0.75 BIRC5 (0.54) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL708998 0.73 NPC1 (1.00) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL31393433 0.73 NPC1 (1.00) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL3425584 0.72 MAPT (0.47) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL29478359 0.72 PDE10A (0.52) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1

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
CN-102276802-B Thiophene-quinoxaline unit containing fluorene copolymer as well as preparation method and application thereof OCEANS KING LIGHTING TECH CO 2013-09-04 CN disclosed
CN-102276802-A Thiophene-quinoxaline unit containing fluorene copolymer as well as preparation method and application thereof 2011-12-14 CN disclosed
CN-1343215-A 6-O-substituted macrolides with antibacterial activity ABBOTT LAB (US) 2002-04-03 CN disclosed
EP-1161438-A1 6-O-SUBSTITUTED MACROLIDES HAVING ANTIBACTERIAL ACTIVITY ABBOTT LABORATORIES (US) 2001-12-12 EP disclosed
WO-2000055168-A1 6-O-SUBSTITUTED MACROLIDES HAVING ANTIBACTERIAL ACTIVITY ABBOTT LABORATORIES (US) 2000-09-21 WO disclosed
US-6054435-A 6-O-substituted macrolides having antibacterial activity ABBOTT LABORATORIES (US) 2000-04-25 US disclosed