SCHEMBL21769290

SCHEMBL21769290

CCOC(=O)/C(=N/NC1CC1)C(=O)/C(=C/N(C)C)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.38
MAPT P10636 6/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP1A2 P05177 2/20 0.37
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CASP3 P42574 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
HPGD P15428 3/20 0.34
CES2 O00748 1/20 0.34
ACHE P22303 1/20 0.34
CES1 P23141 1/20 0.34

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
SCHEMBL30106507 1.00 CHRM1 (0.38) CHRM1MAPTMEN1KMT2ACYP1A2
SCHEMBL21769300 0.92 DHODH (0.35) MAPTMEN1KMT2ACYP2C9ALDH1A1
SCHEMBL23566921 0.92 DHODH (0.35) MAPTMEN1KMT2ACYP2C9ALDH1A1
SCHEMBL24292883 0.82 CHRM1 (0.41) CHRM1MAPTMEN1KMT2ACYP1A2
SCHEMBL16109883 0.77 MAPT (0.51) MAPTMEN1KMT2ACYP1A2LMNA
SCHEMBL16109884 0.77 MAPT (0.51) MAPTMEN1KMT2ACYP1A2LMNA
SCHEMBL15333607 0.77 MAPT (0.52) MAPTMEN1KMT2ACYP1A2LMNA
SCHEMBL15333608 0.77 MAPT (0.52) MAPTMEN1KMT2ACYP1A2LMNA
SCHEMBL17230360 0.77 MAPT (0.52) MAPTMEN1KMT2ACYP1A2LMNA
SCHEMBL23585003 0.76 MAPT (0.45) MAPTMEN1KMT2ACYP1A2LMNA

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
EP-3842425-A1 NOVEL QUINOLINE DERIVATIVE INHIBITOR Nanjing Transthera Biosciences Co., Ltd. (CN) 2021-06-30 EP disclosed
WO-2020038460-A1 NOVEL QUINOLINE DERIVATIVE INHIBITOR 南京药捷安康生物科技有限公司 2020-02-27 WO disclosed