SCHEMBL9530980

SCHEMBL9530980

CCCC(=O)Nc1cccc(C(=O)/C=C/N(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
MAPT P10636 7/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
KMT2A Q03164 5/20 0.54
LMNA P02545 4/20 0.54
MEN1 O00255 4/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HPGD P15428 2/20 0.53
HTT P42858 2/20 0.53
GAA P10253 1/20 0.53
F2R P25116 4/20 0.51
ATM Q13315 1/20 0.51
RAB9A P51151 4/20 0.50
RECQL P46063 2/20 0.50
MAPK1 P28482 1/20 0.48
MTNR1B P49286 1/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL7402943 1.00 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2KMT2ALMNA
SCHEMBL7364611 0.90 ALDH1A1 (0.67) ALDH1A1MAPTSMN1; SMN2KMT2ALMNA
SCHEMBL525132 0.90 ALDH1A1 (0.67) ALDH1A1MAPTSMN1; SMN2KMT2ALMNA
SCHEMBL6070988 0.82 RECQL (0.61) ALDH1A1MAPTSMN1; SMN2KMT2ALMNA
SCHEMBL523930 0.82 MAPT (0.68) ALDH1A1MAPTSMN1; SMN2KMT2ALMNA
SCHEMBL5818378 0.82 RECQL (0.61) ALDH1A1MAPTSMN1; SMN2KMT2ALMNA
SCHEMBL523929 0.82 MAPT (0.68) ALDH1A1MAPTSMN1; SMN2KMT2ALMNA
SCHEMBL10735227 0.80 MAPT (0.57) ALDH1A1MAPTSMN1; SMN2KMT2ALMNA
SCHEMBL10735224 0.80 MAPT (0.57) ALDH1A1MAPTSMN1; SMN2KMT2ALMNA
SCHEMBL1879894 0.79 MAPT (0.63) ALDH1A1MAPTSMN1; SMN2KMT2ALMNA

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
EP-0208846-B1 [7-(3-Disubstituted amino)phenyl]pyrazolo[1,5-a]pyrimidines AMERICAN CYANAMID CO (US) 1993-11-18 EP disclosed