SCHEMBL1999157

SCHEMBL1999157

Cc1cccc(NC(=N)NC2CCCCC2)c1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.70
RAB9A P51151 5/20 0.70
SMN1; SMN2 Q16637 2/20 0.68
HPGD P15428 1/20 0.68
ALOX12 P18054 1/20 0.68
NPSR1 Q6W5P4 1/20 0.55
POLB P06746 1/20 0.52
PKM P14618 1/20 0.50
ALOX15 P16050 1/20 0.50
LMNA P02545 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
EPHX1 P07099 1/20 0.48
TSHR P16473 1/20 0.48
EPHX2 P34913 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL15975491 0.82 RAB9A (1.00) NPC1RAB9ASMN1; SMN2HPGDALOX12
SCHEMBL10143912 0.81 SMN1; SMN2 (1.00) NPC1RAB9ASMN1; SMN2HPGDALOX12
SCHEMBL2751880 0.81 RAB9A (0.97) NPC1RAB9ASMN1; SMN2HPGDALOX12
SCHEMBL23457316 0.81 SMN1; SMN2 (0.69) NPC1RAB9ASMN1; SMN2HPGDALOX12
SCHEMBL6422898 0.79 HSD17B10 (0.62) NPC1RAB9ASMN1; SMN2HPGDNPSR1
SCHEMBL23456441 0.78 RAB9A (0.91) NPC1RAB9ASMN1; SMN2HPGDALOX12
SCHEMBL7299077 0.76 NPC1 (0.60) NPC1RAB9ASMN1; SMN2HPGDALOX12
SCHEMBL11526598 0.74 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2HPGDALOX12
SCHEMBL13302660 0.74 NPSR1 (0.57) SMN1; SMN2NPSR1POLBPKMMEN1
SCHEMBL8397397 0.74 HSD17B10 (0.56) NPC1RAB9ASMN1; SMN2HPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960459-B2 Curable composition KANEKA CORPORATION (JP) 2011-06-14 US disclosed
EP-1990371-B1 CURABLE COMPOSITION KANEKA CORP (JP) 2010-05-05 EP disclosed
US-20090186993-A1 CURABLE COMPOSITION KANEKA CORPORATION (JP) 2009-07-23 US disclosed
EP-1990371-A1 CURABLE COMPOSITION Kaneka Corporation (JP) 2008-11-12 EP disclosed