SCHEMBL28280216

SCHEMBL28280216

CCCOC(=O)CC.N#Cc1cccc(NCCN)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 1/20 0.45
SYK P43405 1/20 0.45
SETD7 Q8WTS6 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
CDK1 P06493 2/20 0.41
PRKCA P17252 2/20 0.41
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
MCHR1 Q99705 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAP2K1 Q02750 1/20 0.38
HDAC4 P56524 1/20 0.38
MEF2D Q14814 1/20 0.38
HPGD P15428 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
SCHEMBL27885111 0.88 ALDH1A1 (0.43) SETD7ALDH1A1MAPTPDK1PDK2
SCHEMBL9850362 0.80 SYK (0.51) ZAP70SYKALDH1A1MAPTCDK1
Benzonitrile SCHEMBL27917177 0.76 LMNA (0.49) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL27993807 0.75 PDK1 (0.47) ALDH1A1MAPTPDK1PDK2PDK3
SCHEMBL27885142 0.75 KMT2A (0.48) KMT2ALMNA
SCHEMBL6972024 0.74 MAPT (0.46) SYKALDH1A1MAPTPDK1PDK2
SCHEMBL4833263 0.74 ALDH1A1 (0.50) ALDH1A1MAPTPDK1PDK2PDK3
SCHEMBL28860987 0.74 ALDH1A1 (0.41) SETD7ALDH1A1MAPTPDK1PDK2
Hydrochloric Acid SCHEMBL4833254 0.73 ALDH1A1 (0.49) ALDH1A1MAPTPDK1PDK2PDK3
SCHEMBL28802430 0.73 MAPT (0.41) ALDH1A1MAPTMEN1KMT2ALMNA

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-109415553-A The thermosetting resin of plasticising and related solidified resin, curing method and the product comprising solidified resin 马萨诸塞大学 2019-03-01 CN disclosed