SCHEMBL30162810

SCHEMBL30162810

CC(=O)C1=C(C)NC(C)=C(C(C)=O)C1c1csc2ncccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.38
HSD17B10 Q99714 3/20 0.38
KDM4E B2RXH2 3/20 0.38
NR3C2 P08235 2/20 0.37
CASP1 P29466 2/20 0.36
PDE1C Q14123 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LIMK1 P53667 2/20 0.35
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
ALDH1A1 P00352 5/20 0.35
MAPT P10636 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
CASP7 P55210 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL22400637 1.00 BACE1 (0.38) BACE1HSD17B10KDM4ENR3C2CASP1
SCHEMBL29105646 0.95 BACE1 (0.36) BACE1HSD17B10KDM4ENR3C2CASP1
SCHEMBL30489840 0.92 KDM4E (0.51) HSD17B10KDM4EPDE1CSMN1; SMN2ALDH1A1
SCHEMBL20954203 0.92 KDM4E (0.51) HSD17B10KDM4EPDE1CSMN1; SMN2ALDH1A1
SCHEMBL10375741 0.90 KDM4E (0.38) BACE1HSD17B10KDM4ECASP1PDE1C
SCHEMBL20954525 0.87 NR3C2 (0.52) KDM4ENR3C2ALDH1A1MAPTMEN1
SCHEMBL20954446 0.86 ADORA2B (0.45) HSD17B10KDM4ENR3C2CASP1SMN1; SMN2
SCHEMBL20954247 0.86 PDE1C (0.45) HSD17B10KDM4ECASP1PDE1CALDH1A1
SCHEMBL20954323 0.86 NR3C2 (0.51) KDM4ENR3C2ALDH1A1MAPTMEN1
SCHEMBL30489862 0.86 PDE1C (0.45) HSD17B10KDM4ECASP1PDE1CALDH1A1

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-111491935-B Novel analogs as modulators of androgen and glucocorticoid receptors 昂科斯特拉公司 2023-08-22 CN claimed
EP-3707143-B9 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS ONCOSTELLAE S L (ES) 2023-04-12 EP claimed
EP-3707143-B1 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS ONCOSTELLAE S L (ES) 2022-12-28 EP claimed
CN-111491935-B Novel analogs as modulators of androgen and glucocorticoid receptors 昂科斯特拉公司 2023-08-22 CN disclosed