SCHEMBL31329665

SCHEMBL31329665

CCOC(=O)c1c(O)c2cc(F)ccc2n(C)c1=O

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.69
KDM4E B2RXH2 5/20 0.69
SMN1; SMN2 Q16637 2/20 0.57
ALOX5 P09917 2/20 0.52
LMNA P02545 3/20 0.50
NPC1 O15118 1/20 0.50
ALOX15 P16050 1/20 0.50
RECQL P46063 1/20 0.49
HTT P42858 1/20 0.48
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
PABPC1 P11940 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL5529472 1.00 ALDH1A1 (0.69) ALDH1A1KDM4ESMN1; SMN2ALOX5LMNA
SCHEMBL5525935 0.87 ALDH1A1 (0.72) ALDH1A1KDM4ESMN1; SMN2ALOX5LMNA
SCHEMBL15154629 0.86 ALDH1A1 (0.70) ALDH1A1KDM4ESMN1; SMN2LMNANPC1
SCHEMBL2382446 0.85 ALDH1A1 (0.69) ALDH1A1KDM4ESMN1; SMN2LMNANPC1
SCHEMBL5530559 0.85 ALDH1A1 (0.76) ALDH1A1KDM4ESMN1; SMN2ALOX5LMNA
SCHEMBL15966805 0.85 ALDH1A1 (0.77) ALDH1A1KDM4ESMN1; SMN2LMNANPC1
SCHEMBL11383580 0.84 ALDH1A1 (0.67) ALDH1A1KDM4ESMN1; SMN2ALOX5LMNA
SCHEMBL5330384 0.83 ALDH1A1 (0.61) ALDH1A1KDM4ESMN1; SMN2ALOX5LMNA
SCHEMBL9273846 0.83 ALDH1A1 (0.66) ALDH1A1KDM4ESMN1; SMN2ALOX5LMNA
SCHEMBL14607235 0.83 ALDH1A1 (0.66) ALDH1A1KDM4ESMN1; SMN2ALOX5LMNA

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-115103841-B Substituted quinolinone piperazine compounds useful as T cell activators 百时美施贵宝公司 2024-12-27 CN disclosed