SCHEMBL30833809

SCHEMBL30833809

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nn(C(=O)OC(C)(C)C)c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.41
F2 P00734 4/20 0.41
PLAU P00749 4/20 0.41
CTRB1 P17538 4/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
KLKB1 P03952 1/20 0.37
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.35
MAP2K4 P45985 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALOX5 P09917 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 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
SCHEMBL29190579 0.91 ELANE (0.41) ELANEF2PLAUCTRB1MAPT
SCHEMBL3516872 0.91 ELANE (0.43) ELANEF2PLAUCTRB1MAPT
SCHEMBL1709876 0.83 ELANE (0.47) ELANEF2PLAUCTRB1MAPT
SCHEMBL3514299 0.83 ELANE (0.46) ELANEF2PLAUCTRB1MAPT
SCHEMBL1316854 0.82 PDGFRA (0.42) ELANEMAP2K4GABRG2GABRB3GABRA5
SCHEMBL30833750 0.82 MAP2K4 (0.39) BRD4MAP2K4GABRG2GABRB3GABRA5
SCHEMBL6170318 0.82 MAPT (0.44) ELANEF2PLAUCTRB1MAPT
SCHEMBL22777374 0.82 MAPT (0.44) ELANEF2PLAUCTRB1MAPT
SCHEMBL3964153 0.82 MAPT (0.44) ELANEF2PLAUCTRB1MAPT
SCHEMBL15081365 0.82 ELANE (0.43) ELANEF2PLAUCTRB1MAPT

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-113896744-B Selective EGFR inhibitor 成都先导药物开发股份有限公司 2024-04-16 CN disclosed