SCHEMBL28825868

SCHEMBL28825868

COC(=O)c1cc(C)nn1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.60
TSHR P16473 3/20 0.59
KMT2A Q03164 4/20 0.58
NTRK1 P04629 1/20 0.57
MDM2 Q00987 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MAPT P10636 1/20 0.54
GAA P10253 1/20 0.54
HPGD P15428 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
KCNJ6 P48051 1/20 0.52
KCNJ5 P48544 1/20 0.52
KCNJ3 P48549 1/20 0.52

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
SCHEMBL14116452 0.85 TSHR (0.63) ALDH1A1TSHRKMT2ANTRK1MDM2
SCHEMBL6422295 0.85 KMT2A (0.65) ALDH1A1SMN1; SMN2TSHRKMT2AL3MBTL1
SCHEMBL69400 0.84 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2KMT2AL3MBTL1MAPT
SCHEMBL4850604 0.84 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2KMT2AL3MBTL1MAPT
SCHEMBL27667348 0.83 TSHR (0.61) ALDH1A1TSHRKMT2ANTRK1MDM2
SCHEMBL1259093 0.83 ALDH1A1 (0.66) ALDH1A1TSHRKMT2ANTRK1MDM2
SCHEMBL28923697 0.83 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2KMT2AL3MBTL1MAPT
SCHEMBL16112346 0.83 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2KMT2AL3MBTL1MAPT
SCHEMBL20028706 0.83 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2KMT2AL3MBTL1MAPT
SCHEMBL16112407 0.83 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2KMT2AL3MBTL1MAPT

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-105315308-A Organic electroluminescent material and device UNIVERSAL DISPLAY CORP 2016-02-10 CN disclosed