SCHEMBL28843901

SCHEMBL28843901

COC(=O)c1cc(N)ccc1N1CCN(C[C](C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.52
▸ LMNA P02545 3/20 0.47
▸ MAPT P10636 6/20 0.47
▸ KDM4E B2RXH2 5/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ GFER P55789 3/20 0.47
▸ THRB P10828 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ YWHAG P61981 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ HTT P42858 2/20 0.46
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ GAA P10253 3/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ TSHR P16473 2/20 0.43
▸ TP53 P04637 1/20 0.43

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
SCHEMBL30664595 0.83 KDM4E (0.54) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL14875455 0.83 KDM4E (0.54) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL27791208 0.82 KDM4E (0.68) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL10261801 0.81 HTT (0.68) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL28143334 0.81 ALDH1A1 (0.79) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL31454335 0.79 MAPT (0.56) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL422548 0.79 MAPT (0.56) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL10293479 0.79 ALDH1A1 (0.48) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL853123 0.78 ALDH1A1 (0.54) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL265878 0.77 NR1H2 (0.50) ALDH1A1LMNAMAPTKDM4EMEN1

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-103626742-B Bi-aryl meta-pyrimidine inhibitors of kinases 塔格根公司 2017-04-26 — — CN disclosed
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