SCHEMBL8024114

SCHEMBL8024114

COc1ccc(N)cc1Nc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.65
ALDH1A1 P00352 6/20 0.65
L3MBTL1 Q9Y468 3/20 0.65
MAPK1 P28482 2/20 0.65
GAA P10253 5/20 0.54
TDP1 Q9NUW8 3/20 0.54
HTT P42858 3/20 0.54
ALOX15 P16050 3/20 0.54
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
KDM4E B2RXH2 3/20 0.47
LMNA P02545 2/20 0.47
GFER P55789 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX12 P18054 1/20 0.47
EGFR P00533 4/20 0.47
RET P07949 2/20 0.47

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
SCHEMBL2127164 0.86 ALDH1A1 (0.65) MAPTALDH1A1L3MBTL1MAPK1GAA
SCHEMBL8687511 0.81 GAA (0.65) MAPTALDH1A1L3MBTL1MAPK1GAA
SCHEMBL11271866 0.79 ALDH1A1 (0.51) MAPTALDH1A1L3MBTL1MAPK1GAA
SCHEMBL18542336 0.79 KMT2A (0.54) MAPTALDH1A1L3MBTL1MAPK1GAA
SCHEMBL1618638 0.79 MAPT (1.00) MAPTALDH1A1L3MBTL1MAPK1GAA
SCHEMBL3461022 0.79 MEN1 (0.72) MAPTALDH1A1L3MBTL1MAPK1GAA
SCHEMBL13859338 0.78 AURKA (0.60) EGFRKDRLCK
SCHEMBL3800858 0.78 MAPT (0.63) MAPTALDH1A1L3MBTL1MAPK1GAA
SCHEMBL5080732 0.78 MAPT (0.68) MAPTALDH1A1L3MBTL1MAPK1GAA
SCHEMBL2095055 0.77 MAPT (0.72) MAPTALDH1A1L3MBTL1MAPK1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6030992-A ANTAGONISTS FOR THE BINDING OF NEUROKININ-2 RECEPTOR; SLEEP DISORDERS; BENZIMIDES, 2- OR 3-ALKOXYBENZIMIDES AND 2,3-DIALKOXYBENZIMIDES ELI LILLY AND COMPANY (US) 2000-02-29 US disclosed
US-6025379-A A SUBSTITUTED BENZIMIDAZOLE, TACHYKININ RECEPTOR ANTAGONISTS, ELI LILLY AND COMPANY (US) 2000-02-15 US disclosed
WO-1997031635-A1 METHODS OF TREATING OR PREVENTING SLEEP APNEA ELI LILLY AND COMPANY (US) 1997-09-04 WO disclosed
US-5552426-A NERVOUS SYSTEM DISORDERS USING IMIDAZOLE DERIVITIVES ELI LILLY AND COMPANY (US) 1996-09-03 US disclosed
EP-0694535-A1 Non-peptidyl tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-01-31 EP disclosed