SCHEMBL12424804

SCHEMBL12424804

CN(C)c1ccc(N(c2ccc(C3=C4C(=O)NC(c5ccc(N(c6ccc(N(C)C)cc6)c6ccc(N(C)C)cc6)cc5)=C4C(=O)N3)cc2)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 3/20 0.40
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 7/20 0.39
RAB9A P51151 3/20 0.39
LMNA P02545 2/20 0.39
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
NOTUM Q6P988 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
GSK3B P49841 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
HDAC6 Q9UBN7 2/20 0.35
HDAC1 Q13547 1/20 0.35
APP P05067 3/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 2/20 0.35

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
SCHEMBL5892113 0.94 ALDH1A1 (0.44) METAP1ALDH1A1TSHRALOX15HSD17B10
SCHEMBL12424746 0.86 PTGS2 (0.42) ALDH1A1TSHRALOX15HSD17B10MAPT
SCHEMBL5892109 0.84 GSK3B (0.44) ALDH1A1MAPTGSK3BCRHBPCRHR2
SCHEMBL12424758 0.82 GSK3B (0.46) ALDH1A1MAPTGSK3BCRHBPCRHR2
SCHEMBL12424773 0.77 GSK3B (0.57) ALDH1A1MAPTRAB9ALMNASMN1; SMN2
SCHEMBL12424801 0.76 GSK3B (0.59) ALDH1A1LMNASMN1; SMN2GSK3BMEN1
SCHEMBL13767791 0.76 MAPT (0.48) ALDH1A1MAPTGSK3BAPPKDM4E
SCHEMBL10065793 0.73 L3MBTL1 (0.40) ALDH1A1SMN1; SMN2GSK3BAPPMAPK1
SCHEMBL12425029 0.73 GSK3B (0.49) NOTUMGSK3BCYP1A2
SCHEMBL815442 0.72 PTGS2 (0.50) ALDH1A1ALOX15HSD17B10RAB9ALMNA

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-7977670-B2 Organic transistor TOYO INK MFG. CO., LTD. (JP) 2011-07-12 US disclosed
US-20100032657-A1 ORGANIC TRANSISTOR TOYO INK MFG CO., LTD (JP) 2010-02-11 US disclosed