SCHEMBL28997258

SCHEMBL28997258

C=CCCC(=O)Nc1cccc(F)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.66
KMT2A Q03164 5/20 0.66
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
TSHR P16473 1/20 0.49
HPGD P15428 1/20 0.49
FOLH1 Q04609 1/20 0.48
HDAC3 O15379 1/20 0.48
EGFR P00533 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48

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
SCHEMBL30225952 1.00 MEN1 (0.66) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL29054681 0.84 NAMPT (0.46) MEN1KMT2AALDH1A1NPC1HDAC3
SCHEMBL25501736 0.82 NLRP3 (0.52) MEN1KMT2ANPC1HDAC3HDAC4
SCHEMBL30544715 0.82 HDAC3 (0.62) MEN1KMT2AALDH1A1POLBNPC1
SCHEMBL22743387 0.82 GAA (0.60) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL30226098 0.82 MAPT (0.56) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL29054673 0.82 HDAC3 (0.62) MEN1KMT2AALDH1A1POLBNPC1
SCHEMBL823968 0.82 HDAC4 (0.62) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL28997262 0.82 MAPT (0.56) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL29054588 0.81 HDAC3 (0.64) MEN1KMT2AALDH1A1POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115894323-A Method for self-cyclizing cyanation of enaminoaniline compound 湖北工业大学 2023-04-04 CN claimed
CN-115894323-A Method for self-cyclizing cyanation of enaminoaniline compound 湖北工业大学 2023-04-04 CN disclosed