SCHEMBL31434375

SCHEMBL31434375

COc1ccc2nc(CC(N)=O)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.54
KDM4E B2RXH2 4/20 0.52
HDAC1 Q13547 3/20 0.49
HDAC2 Q92769 3/20 0.49
PLA2G10 O15496 1/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGDS O60760 2/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
NQO1 P15559 1/20 0.48
PTGS1 P23219 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
SCHEMBL30896202 0.82 KDM4E (0.55) NCF1KDM4EHDAC1HDAC2ALDH1A1
SCHEMBL6834551 0.82 KDM4E (0.55) NCF1KDM4EHDAC1HDAC2ALDH1A1
Ammonia Solution, Strong SCHEMBL27888749 0.81 KDM4E (0.54) NCF1KDM4EHDAC1HDAC2ALDH1A1
Bromide SCHEMBL28322147 0.81 ALDH1A1 (0.54) NCF1KDM4EHDAC1HDAC2ALDH1A1
SCHEMBL31434423 0.80 NCK1 (0.50) KDM4EALDH1A1POLBMEN1MAPT
SCHEMBL19941893 0.80 NCK1 (0.50) KDM4EALDH1A1POLBMEN1MAPT
SCHEMBL28254830 0.80 NCF1 (0.62) NCF1KDM4EHDAC1HDAC2ALDH1A1
SCHEMBL7808259 0.80 NCF1 (0.57) NCF1KDM4EHDAC1HDAC2ALDH1A1
SCHEMBL7835368 0.78 NCF1 (0.59) NCF1KDM4EHDAC1HDAC2ALDH1A1
SCHEMBL9104973 0.78 NCF1 (0.51) NCF1KDM4EHDAC1HDAC2ALDH1A1

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-119462501-A Preparation method of 2-quinolinamide compound promoted by acidic ionic liquid 内蒙古民族大学 2025-02-18 CN disclosed