SCHEMBL5332553

SCHEMBL5332553

COCOc1ccc(-c2nc3c(C)cccc3o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CEPT1 Q9Y6K0 1/20 0.51
PTPN1 P18031 7/20 0.47
F2RL3 Q96RI0 4/20 0.44
UTRN P46939 1/20 0.42
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA10 Q9GZZ6 1/20 0.41
CHRNA9 Q9UGM1 1/20 0.41
AGPAT2 O15120 1/20 0.40
NPC1 O15118 2/20 0.39
MAPK1 P28482 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TOP2A P11388 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL19663011 0.85 NPC1 (0.51) CEPT1PTPN1F2RL3AGPAT2NPC1
SCHEMBL5337672 0.84 PTPN1 (0.43) CEPT1PTPN1F2RL3UTRNCHRNB4
SCHEMBL16231622 0.83 CEPT1 (0.54) CEPT1PTPN1F2RL3UTRNAGPAT2
SCHEMBL13494491 0.78 SMN1; SMN2 (0.51) CEPT1PTPN1F2RL3UTRNAGPAT2
SCHEMBL5335110 0.78 AGPAT2 (0.43) CEPT1F2RL3AGPAT2NPC1MAPK1
SCHEMBL7298455 0.77 CEPT1 (0.52) CEPT1PTPN1F2RL3AGPAT2NPC1
SCHEMBL24871289 0.76 NPC1 (0.61) CEPT1PTPN1F2RL3UTRNAGPAT2
SCHEMBL4584419 0.76 CEPT1 (0.49) CEPT1F2RL3AGPAT2NPC1RAB9A
SCHEMBL1921033 0.76 NPC1 (0.57) CEPT1F2RL3NPC1RAB9ATP53
SCHEMBL9820032 0.76 UTRN (0.54) CEPT1PTPN1F2RL3UTRNAGPAT2

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-7262301-B1 Zinc-chelating ratiometric fluorescent probes and related methods NORTHWESTERN UNIVERSITY (US) 2007-08-28 US disclosed
US-7105680-B1 Zinc-chelating ratiometric fluorescent probes and related methods NORTHWESTERN UNIVERSITY (US) 2006-09-12 US disclosed