SCHEMBL13010504

SCHEMBL13010504

CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3cc(Br)cc(I)c3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.49
RAB9A P51151 4/20 0.49
MAPT P10636 4/20 0.41
TP53 P04637 3/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.38
XDH P47989 1/20 0.38
KIF11 P52732 2/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
KMT2A Q03164 2/20 0.34
MITF O75030 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
SCHEMBL2950922 0.90 NPC1 (0.55) NPC1RAB9AMAPTTP53LMNA
SCHEMBL10263221 0.83 NPC1 (0.47) NPC1RAB9AMAPTTP53LMNA
SCHEMBL2252001 0.81 NPC1 (0.60) NPC1RAB9AMAPTTP53LMNA
SCHEMBL2252159 0.79 NPC1 (0.58) NPC1RAB9AMAPTTP53LMNA
SCHEMBL12311647 0.79 NPC1 (0.58) NPC1RAB9AMAPTTP53LMNA
SCHEMBL13010482 0.79 NPC1 (0.50) NPC1RAB9AMAPTTP53LMNA
SCHEMBL6680571 0.78 NPC1 (0.72) NPC1RAB9AMAPTTP53LMNA
SCHEMBL20100122 0.77 NPC1 (0.60) NPC1RAB9AMAPTTP53LMNA
SCHEMBL19901704 0.77 NPC1 (0.60) NPC1RAB9AMAPTTP53LMNA
SCHEMBL27283831 0.77 NPC1 (0.60) NPC1RAB9AMAPTTP53LMNA

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