SCHEMBL30729660

SCHEMBL30729660

N#CC(C#N)=Cc1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
KMT2A Q03164 5/20 0.54
ALDH1A1 P00352 4/20 0.54
MEN1 O00255 4/20 0.54
KDM4E B2RXH2 3/20 0.54
LMNA P02545 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
POLB P06746 1/20 0.54
NFE2L2 Q16236 3/20 0.52
EGFR P00533 4/20 0.52
MAPK1 P28482 3/20 0.52
CYP3A4 P08684 3/20 0.52
THPO P40225 3/20 0.52
BLM P54132 3/20 0.52
PMP22 Q01453 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
TP53 P04637 2/20 0.52
CYP2C9 P11712 2/20 0.52
HPGD P15428 2/20 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
SCHEMBL3368267 1.00 MAPT (0.54) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL5865768 0.86 ALDH1A1 (0.65) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL26552233 0.81 MAPT (0.54) MAPTLMNANFE2L2MAPK1CYP3A4
SCHEMBL8543873 0.78 EGFR (0.64) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL2556610 0.78 ENPP2 (0.60) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL20615263 0.78 KDM4E (0.69) MAPTKMT2AALDH1A1KDM4EPOLB
SCHEMBL28791205 0.78 KDM4E (0.69) MAPTKMT2AALDH1A1KDM4EPOLB
SCHEMBL30457529 0.77 KMT2A (0.56) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL3368556 0.77 KMT2A (0.54) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL17466928 0.77 ALDH1A1 (0.54) MAPTKMT2AALDH1A1MEN1KDM4E

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-117623983-A Method for constructing cyclopentene skeleton by directly cyclizing allyl alcohol 南京工业大学 2024-03-01 CN disclosed