SCHEMBL28524007

SCHEMBL28524007

Cc1cc(C)c(C=Cc2ccccc2)c(N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.46
ALOX5 P09917 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
CYP19A1 P11511 2/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
GRM4 Q14833 3/20 0.42
NFE2L2 Q16236 2/20 0.41
CHAT P28329 2/20 0.40
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 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
SCHEMBL27659522 0.91 KDM4E (0.48) TTRALOX5PTGS1PTGS2KDM4E
SCHEMBL698718 0.87 TTR (0.53) TTRALOX5PTGS1PTGS2KDM4E
SCHEMBL698717 0.87 TTR (0.53) TTRALOX5PTGS1PTGS2KDM4E
SCHEMBL27322505 0.86 CYP19A1 (0.48) TTRALOX5PTGS1PTGS2KDM4E
SCHEMBL28128701 0.75 CYP19A1 (0.58) KDM4EALDH1A1HPGDCYP19A1MAOA
Benzoic Acid SCHEMBL20968915 0.75 TTR (0.51) TTRALOX5PTGS1PTGS2ALDH1A1
Toluene SCHEMBL27930865 0.74 CYP19A1 (0.47) TTRALOX5PTGS1PTGS2KDM4E
SCHEMBL27498123 0.74 TTR (0.44) TTRALOX5PTGS1PTGS2KDM4E
SCHEMBL28413170 0.73 CYP2D6 (0.46) TTRALOX5PTGS1PTGS2KDM4E
SCHEMBL28503270 0.73 ALDH1A1 (0.48) TTRALOX5PTGS1PTGS2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109608455-B Synthesis method of indazolo [2,3-a ] quinoline and derivatives thereof 常州大学 2021-03-02 CN disclosed