SCHEMBL13609448

SCHEMBL13609448

CCCCCCCCCCCCN1c2cc3cc(C)sc3cc2N(CCCCCCCCCCCC)c2cc3sc(C)cc3cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 3/20 0.39
▸ PTGS2 P35354 3/20 0.39
▸ MGLL Q99685 3/20 0.39
▸ FAAH O00519 1/20 0.39
▸ CES1 P23141 2/20 0.34
▸ CDC25A P30304 1/20 0.34
▸ NPC1 O15118 5/20 0.33
▸ RAB9A P51151 5/20 0.33
▸ HTT P42858 4/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ GALR3 O60755 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ ATM Q13315 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAD52 P43351 1/20 0.33

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
SCHEMBL13609450 1.00 PTGS1 (0.39) PTGS1PTGS2MGLLFAAHCES1
SCHEMBL20434459 0.80 PTGS1 (0.41) PTGS1PTGS2MGLLFAAHCES1
SCHEMBL13609449 0.74 MGLL (0.48) PTGS1PTGS2MGLLFAAHLMNA
SCHEMBL13609447 0.74 MGLL (0.48) PTGS1PTGS2MGLLFAAHLMNA
SCHEMBL9917545 0.73 CES1 (0.50) PTGS1PTGS2MGLLFAAHCES1
SCHEMBL12036437 0.68 THRA (0.35) —
SCHEMBL12036436 0.68 THRA (0.35) —
SCHEMBL2742924 0.66 ALDH1A1 (0.38) NPC1RAB9ASMN1; SMN2NPSR1MAPT
SCHEMBL18433339 0.66 MAPT (0.31) MAPT
SCHEMBL18434197 0.66 MAPT (0.31) MAPT

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-7615607-B2 monomers containing two tertiary amines for stability, and two thieno groups at each end point of the monomer; N-heterocycle polymer with piperazine group and polythiophenes; organic thin film transistors XEROX CORPORATION (US) 2009-11-10 — — US disclosed
US-7563860-B2 Semiconductors and electronic devices generated therefrom XEROX CORPORATION (US) 2009-07-21 — — US disclosed
US-20070235724-A1 Semiconductors and electronic devices generated therefrom XEROX CORPORATION 2007-10-11 — — US disclosed
US-20070238851-A1 Semiconductor polymers XEROX CORPORATION 2007-10-11 — — US disclosed
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