SCHEMBL28706294

SCHEMBL28706294

O=C(Cc1cccc2ccccc12)Nc1ccc(=O)n(-c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.58
MEN1 O00255 6/20 0.58
KDM4E B2RXH2 5/20 0.58
MAPT P10636 4/20 0.58
ALDH1A1 P00352 5/20 0.54
LMNA P02545 4/20 0.54
POLB P06746 2/20 0.54
HPGD P15428 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GLA P06280 1/20 0.52
PPARG P37231 1/20 0.52
NCOA2 Q15596 1/20 0.52
NCOA1 Q15788 1/20 0.52
PTGER4 P35408 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50

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
SCHEMBL28700650 0.89 KMT2A (0.53) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL28697076 0.83 ELOVL1 (0.52) KMT2AMEN1ALDH1A1LMNAHPGD
SCHEMBL28684562 0.83 KCNJ5 (0.56) KDM4EALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL28690666 0.83 TDP1 (0.52) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL28708127 0.83 CA12 (0.53) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL28704823 0.80 MEN1 (0.57) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL28690641 0.80 NR2E1 (0.51) KMT2AMEN1MAPT
SCHEMBL10079871 0.79 ALDH1A1 (0.72) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL28684550 0.77 MEN1 (0.61) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL1947868 0.76 ALDH1A1 (0.68) KMT2AMEN1KDM4EMAPTALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114057630-B Pirfenidone derivative and synthetic method and application thereof 郑州大学 2023-06-02 CN claimed
CN-114057630-A Pirfenidone derivative and synthetic method and application thereof 郑州大学 2022-02-18 CN claimed
CN-114057630-B Pirfenidone derivative and synthetic method and application thereof 郑州大学 2023-06-02 CN disclosed
CN-114057630-A Pirfenidone derivative and synthetic method and application thereof 郑州大学 2022-02-18 CN disclosed