SCHEMBL679127

SCHEMBL679127

CCOC(=O)c1cc(C)cn(-c2ccccc2)c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
ALDH1A1 P00352 10/20 0.51
KDM4E B2RXH2 6/20 0.51
HPGD P15428 4/20 0.51
GAA P10253 2/20 0.51
GLA P06280 1/20 0.51
GABRA2 P47869 2/20 0.50
GABRB2 P47870 2/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 1/20 0.49
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
TNNI3 P19429 1/20 0.46
CASP1 P29466 1/20 0.46
BRCA1 P38398 1/20 0.46
TNNT2 P45379 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
SCHEMBL680604 0.86 ALDH1A1 (0.52) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL28430420 0.86 KDM4E (0.63) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL679402 0.82 KDM4E (0.57) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL3410900 0.78 GABRA2 (0.54) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL4985090 0.77 ALDH1A1 (0.50) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL19511981 0.76 ALDH1A1 (0.52) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL199471 0.76 MAPT (1.00) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL69251 0.76 TSHR (0.63) MAPTALDH1A1HPGDGAAGABRA2
SCHEMBL19429727 0.75 MAPT (0.58) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL4980883 0.75 MAPT (0.48) MAPTALDH1A1KDM4EHPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111423366-B Preparation method of pirfenidone 山东汇海医药化工有限公司 2022-05-27 CN disclosed
CN-111423366-A Preparation method of pirfenidone 山东汇海医药化工有限公司 2020-07-17 CN disclosed
EP-2310382-B1 AMIDOPHENOXYINDAZOLES USEFUL AS INHIBITORS OF C-MET LILLY CO ELI (US) 2012-02-22 EP disclosed