SCHEMBL28679359

SCHEMBL28679359

CCCC(=O)NNc1ccc(C)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.71
GAA P10253 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
HTT P42858 1/20 0.56
POLB P06746 3/20 0.50
PTGS2 P35354 2/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP2C19 P33261 1/20 0.47
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
METAP2 P50579 1/20 0.46
METAP1 P53582 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
ADORA1 P30542 1/20 0.45
HDAC3 O15379 1/20 0.45

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
SCHEMBL28678421 0.89 ALOX5 (0.57) ALOX5GAASMN1; SMN2HTTPOLB
SCHEMBL28689364 0.88 P2RX7 (0.57) ALOX5GAASMN1; SMN2HTTPOLB
SCHEMBL10968101 0.85 ALOX5 (0.71) ALOX5GAASMN1; SMN2HTTTP53
SCHEMBL1531522 0.83 ALOX5 (1.00) ALOX5GAASMN1; SMN2MAPTKDM4E
Hydrochloric Acid SCHEMBL8957363 0.81 ALOX5 (0.96) ALOX5GAASMN1; SMN2HTTMAPT
SCHEMBL8361539 0.81 TP53 (0.75) SMN1; SMN2HTTPOLBTP53MAPT
SCHEMBL5451366 0.79 PTGS2 (0.56) ALOX5GAASMN1; SMN2HTTPOLB
SCHEMBL9190297 0.79 GAA (0.53) ALOX5GAASMN1; SMN2HTTPOLB
SCHEMBL10968481 0.78 KMT2A (0.62) ALOX5GAASMN1; SMN2HTTPOLB
SCHEMBL17405142 0.76 TP53 (0.86) SMN1; SMN2HTTPOLBTP53MAPT

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-113896663-A Heat-sensitive acid generator and preparation method and application thereof 北京印刷学院 2022-01-07 CN disclosed