SCHEMBL13010482

SCHEMBL13010482

CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3cccc(Br)c3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 4/20 0.43
HPGD P15428 2/20 0.43
TSHR P16473 2/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 1/20 0.42
KIF11 P52732 1/20 0.41
AHR P35869 1/20 0.41
BIRC5 O15392 1/20 0.41
ABCG2 Q9UNQ0 2/20 0.40
ABCB1 P08183 1/20 0.40
ABCC1 P33527 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL18086419 0.88 MEN1 (0.46) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2950922 0.84 NPC1 (0.55) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL21989276 0.84 MEN1 (0.50) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL20149961 0.83 RAB9A (0.53) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL13171479 0.82 NPC1 (0.52) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL2252001 0.82 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL4547022 0.82 RAB9A (0.56) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL29878444 0.82 RAB9A (0.56) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL20089425 0.81 RAB9A (0.51) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL15832753 0.81 RAB9A (0.58) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100327738-A1 POLYMER COMPOUND AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING THE SAME SHOWA DENKO K.K. (JP) 2010-12-30 US disclosed
US-20100327738-A1 POLYMER COMPOUND AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING THE SAME SHOWA DENKO K.K. (JP) 2010-12-30 US disclosed